SCHEMBL4485540

SCHEMBL4485540

CCc1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.69
▸ ALDH1A1 P00352 3/20 0.68
▸ HRH3 Q9Y5N1 3/20 0.68
▸ MAPK1 P28482 2/20 0.68
▸ CYP1A2 P05177 1/20 0.68
▸ CHRM2 P08172 1/20 0.68
▸ CHRM1 P11229 1/20 0.68
▸ HTR2A P28223 1/20 0.68
▸ SCN1A P35498 1/20 0.68
▸ HTR2B P41595 1/20 0.68
▸ KCNH2 Q12809 1/20 0.68
▸ SCN2A Q99250 1/20 0.68
▸ SIGMAR1 Q99720 1/20 0.68
▸ SCN3A Q9NY46 1/20 0.68
▸ USP2 O75604 1/20 0.66
▸ LMNA P02545 1/20 0.66
▸ GAA P10253 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ NPC1 O15118 2/20 0.62
▸ RAB9A P51151 1/20 0.62

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13186317 0.92 HRH3 (0.80) LTA4HALDH1A1HRH3MAPK1CYP1A2
SCHEMBL10898384 0.88 ALDH1A1 (0.68) LTA4HALDH1A1HRH3MAPK1CYP1A2
SCHEMBL29508217 0.87 ALDH1A1 (0.88) LTA4HALDH1A1HRH3MAPK1CYP1A2
SCHEMBL873542 0.85 ALDH1A1 (0.74) LTA4HALDH1A1HRH3MAPK1CYP1A2
SCHEMBL301254 0.85 HRH3 (0.77) LTA4HALDH1A1HRH3SMN1; SMN2KDM4E
SCHEMBL19602863 0.85 LTA4H (0.66) LTA4HALDH1A1HRH3MAPK1CYP1A2
SCHEMBL2249548 0.84 LTA4H (0.69) LTA4HALDH1A1HRH3MAPK1CYP1A2
SCHEMBL113404 0.84 LTA4H (0.69) LTA4HALDH1A1HRH3MAPK1CYP1A2
SCHEMBL8427936 0.84 LTA4H (0.70) LTA4HALDH1A1HRH3USP2NPC1
SCHEMBL82383 0.84 ALDH1A1 (0.67) LTA4HALDH1A1HRH3MAPK1CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11279732-B2 Somatostatin receptor antagonist compounds and methods of using the same CDRD VENTURES INC. (CA) 2022-03-22 — — US disclosed
US-11026937-B2 Heteroaryl inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2021-06-08 — — US disclosed
US-10954242-B2 Bicyclic urea kinase inhibitors and uses thereof THE BROAD INSTITUTE, INC. (US) 2021-03-23 — — US disclosed
US-20200317675-A9 BICYCLIC UREA KINASE INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2020-10-08 — — US disclosed
US-20200253981-A1 USES OF PYRIMIDOPYRIMIDINONES AS SIK INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2020-08-13 — — US disclosed
US-20190315752-A1 BICYCLIC UREA KINASE INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2019-10-17 — — US disclosed
US-20190153620-A1 LIBRARIES OF DIVERSE MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CYCLENIUM PHARMA INC. (CA) 2019-05-23 — — US disclosed
US-20190040102-A1 SOMATOSTATIN RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USING THE SAME CDRD VENTURES INC. (CA) 2019-02-07 — — US disclosed
EP-2985281-B1 ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CELGENE CORP (US) 2017-12-27 — — EP disclosed
WO-2017197488-A1 LIBRARIES OF DIVERSE MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CYCLENIUM PHARMA INC. (CA) 2017-11-23 — — WO disclosed
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 — — US disclosed
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 — — US disclosed
US-20090054472-A1 Pyrazolopyrimidine Derivatives or Pharmaceutically Acceptable Salts Thereof TEIJIN PHARMA LIMITED (JP) 2009-02-26 — — US disclosed
US-20090036650-A1 Compounds and methods for peptide synthesis BIOGEN IDEC MA INC. 2009-02-05 — — US disclosed
US-7473694-B2 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED (JP) 2009-01-06 — — US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 — — US disclosed
US-7417053-B2 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED (JP) 2008-08-26 — — US disclosed
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 — — US disclosed
US-20070173519-A1 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-07-26 — — US disclosed
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-03-29 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090054472-A1 Pyrazolopyrimidine Derivatives or Pharmaceutically Acceptable Salts Thereof MAPKAPK2, MAPKAPK5, MAPKAPK3 LTA4H 4347/4885ALDH1A1 2911/4885HRH3 2746/4885
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAP4K2, MAPKAPK5 LTA4H 4285/4885ALDH1A1 3152/4885HRH3 2212/4885
US-20070173519-A1 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAPKAPK5, MAPKAPK3 LTA4H 4347/4885ALDH1A1 2911/4885HRH3 2746/4885
US-20190153620-A1 LIBRARIES OF DIVERSE MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME VDR, TRPM8, TRPM7 LTA4H 1449/4885ALDH1A1 3152/4885HRH3 2514/4885
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS APP, APBA1, BACE1 LTA4H 2827/4885ALDH1A1 1197/4885HRH3 1065/4885
US-20090036650-A1 Compounds and methods for peptide synthesis PTMS, NPPA, DNPEP LTA4H 2593/4885ALDH1A1 4847/4885HRH3 3319/4885
US-20200253981-A1 USES OF PYRIMIDOPYRIMIDINONES AS SIK INHIBITORS SIK2, SIK1, SIK3 LTA4H 3493/4885ALDH1A1 1744/4885HRH3 2951/4885
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 LTA4H 3097/4885ALDH1A1 3553/4885HRH3 3157/4885
US-11279732-B2 Somatostatin receptor antagonist compounds and methods of using the same GPR119, SSTR5, SSTR2 LTA4H 2077/4885ALDH1A1 4077/4885HRH3 655/4885
US-20200317675-A9 BICYCLIC UREA KINASE INHIBITORS AND USES THEREOF SIK1, SIK2, SIK3 LTA4H 4581/4885ALDH1A1 3729/4885HRH3 3033/4885
US-20190315752-A1 BICYCLIC UREA KINASE INHIBITORS AND USES THEREOF SIK1, SIK2, SIK3 LTA4H 4581/4885ALDH1A1 3729/4885HRH3 3033/4885
US-11026937-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 LTA4H 2267/4885ALDH1A1 956/4885HRH3 2274/4885
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AGTR1, AGTR2, AHR LTA4H 1544/4885ALDH1A1 60/4885HRH3 165/4885
US-10954242-B2 Bicyclic urea kinase inhibitors and uses thereof SIK1, SIK2, SIK3 LTA4H 4581/4885ALDH1A1 3729/4885HRH3 3033/4885
US-20190040102-A1 SOMATOSTATIN RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USING THE SAME GPR119, SSTR5, SSTR2 LTA4H 2077/4885ALDH1A1 4077/4885HRH3 655/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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