SCHEMBL82383

SCHEMBL82383

Cc1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
MAPK1 P28482 2/20 0.67
CYP1A2 P05177 1/20 0.67
CHRM2 P08172 1/20 0.67
CHRM1 P11229 1/20 0.67
HTR2A P28223 1/20 0.67
SCN1A P35498 1/20 0.67
HTR2B P41595 1/20 0.67
KCNH2 Q12809 1/20 0.67
SCN2A Q99250 1/20 0.67
SIGMAR1 Q99720 1/20 0.67
SCN3A Q9NY46 1/20 0.67
HRH3 Q9Y5N1 1/20 0.67
NPC1 O15118 2/20 0.66
RAB9A P51151 1/20 0.66
USP2 O75604 1/20 0.65
LMNA P02545 1/20 0.65
LTA4H P09960 1/20 0.64
GAA P10253 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63

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
SCHEMBL171264 0.92 HRH3 (0.79) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL12835047 0.90 ALDH1A1 (0.72) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL10200149 0.89 ALDH1A1 (0.70) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL29508217 0.87 ALDH1A1 (0.88) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL14570561 0.86 NPC1 (0.65) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL14577989 0.86 NPC1 (0.69) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL8337754 0.84 HRH3 (0.70) ALDH1A1HRH3LTA4HKDM4E
SCHEMBL15834053 0.84 HRH3 (0.66) HRH3LTA4HKDM4E
SCHEMBL14149490 0.84 NPC1 (0.62) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL4485540 0.84 LTA4H (0.69) ALDH1A1MAPK1CYP1A2CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025914-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE AKARNA THERAPEUTICS LTD (GB) 2024-01-25 US disclosed
US-20220305016-A1 USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS FOR TREATING OSTEOPOROSIS THE GENERAL HOSPITAL CORPORATION (US) 2022-09-29 US disclosed
EP-3510025-B1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2022-06-29 EP disclosed
US-20220133736-A1 USES OF PYRIMIDOPYRIMIDINONES AS SIK INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2022-05-05 US disclosed
WO-2021156636-A1 TRIAZOLE DERIVATIVES WITH ANTIFUNGAL ACTIVITY KING'S COLLEGE LONDON (GB) 2021-08-12 WO disclosed
WO-2021067827-A1 MCL1 INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-04-08 WO 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-20200054643-A1 FUSED HETEROCYCLIC COMPOUNDS AS SELECTIVE BMP INHIBITORS VANDERBILT UNIVERSITY 2020-02-20 US disclosed
US-20190315752-A1 BICYCLIC UREA KINASE INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2019-10-17 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
WO-2004000842-A1 SUBSTITUTED 2,4-DIHYDRO-PYRROLO (3, 4-B) -QUINOLIN-9-ONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2003-12-31 WO disclosed
EP-0617968-B1 HIV protease inhibitors in pharmaceutical combinations for the treatment of AIDS MERCK & CO INC (US) 2003-01-08 EP 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 (10 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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 ALDH1A1 208/4885MAPK1 203/4885CYP1A2 1987/4885
US-20200054643-A1 FUSED HETEROCYCLIC COMPOUNDS AS SELECTIVE BMP INHIBITORS BMP1, BMP4, BMPR2 ALDH1A1 4488/4885MAPK1 435/4885CYP1A2 4654/4885
US-20220133736-A1 USES OF PYRIMIDOPYRIMIDINONES AS SIK INHIBITORS SIK2, SIK1, SIK3 ALDH1A1 1744/4885MAPK1 412/4885CYP1A2 3051/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A ALDH1A1 4428/4885MAPK1 335/4885CYP1A2 3921/4885
US-20220305016-A1 USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS FOR TREATING OSTEOPOROSIS SOST, SIK2, SIK1 ALDH1A1 4790/4885MAPK1 144/4885CYP1A2 4852/4885
US-20200317675-A9 BICYCLIC UREA KINASE INHIBITORS AND USES THEREOF SIK1, SIK2, SIK3 ALDH1A1 3729/4885MAPK1 437/4885CYP1A2 3850/4885
US-20190315752-A1 BICYCLIC UREA KINASE INHIBITORS AND USES THEREOF SIK1, SIK2, SIK3 ALDH1A1 3729/4885MAPK1 437/4885CYP1A2 3850/4885
US-20240025914-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE VHL, BRDT, PAICS ALDH1A1 1592/4885MAPK1 4778/4885CYP1A2 1432/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 ALDH1A1 3337/4885MAPK1 2930/4885CYP1A2 4360/4885
US-10954242-B2 Bicyclic urea kinase inhibitors and uses thereof SIK1, SIK2, SIK3 ALDH1A1 3729/4885MAPK1 437/4885CYP1A2 3850/4885

“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.