SCHEMBL8245065

SCHEMBL8245065

CC(C)Cc1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.64
▸ ACACB O00763 1/20 0.61
▸ ALDH1A1 P00352 5/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CHRM2 P08172 1/20 0.58
▸ CHRM1 P11229 1/20 0.58
▸ HTR2A P28223 1/20 0.58
▸ SCN1A P35498 1/20 0.58
▸ HTR2B P41595 1/20 0.58
▸ KCNH2 Q12809 1/20 0.58
▸ SCN2A Q99250 1/20 0.58
▸ SIGMAR1 Q99720 1/20 0.58
▸ SCN3A Q9NY46 1/20 0.58
▸ HRH3 Q9Y5N1 1/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ USP2 O75604 1/20 0.57

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
SCHEMBL14111383 0.93 HRH3 (0.69) LTA4HACACBALDH1A1MAPK1CYP1A2
SCHEMBL8245067 0.87 PSMB1 (0.67) LTA4HACACBALDH1A1HRH3MEN1
SCHEMBL10085336 0.86 LTA4H (0.61) LTA4HACACBALDH1A1MAPK1CYP1A2
SCHEMBL8246113 0.85 LTA4H (0.65) LTA4HALDH1A1HRH3NPC1RAB9A
SCHEMBL8251179 0.85 PSMB1 (0.69) LTA4HACACBALDH1A1HRH3
SCHEMBL4485540 0.84 LTA4H (0.69) LTA4HALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL8251595 0.83 PSMB1 (0.50) LTA4HACACBALDH1A1HRH3
SCHEMBL104326 0.82 MEN1 (0.70) LTA4HALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL15630158 0.82 MEN1 (0.64) LTA4HALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL10898384 0.81 ALDH1A1 (0.68) LTA4HALDH1A1MAPK1CYP1A2CHRM2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220112242-A1 SOMATOSTATIN RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USING THE SAME CDRD VENTURES INC. (CA) 2022-04-14 — — US disclosed
US-11279732-B2 Somatostatin receptor antagonist compounds and methods of using the same CDRD VENTURES INC. (CA) 2022-03-22 — — US disclosed
US-20190040102-A1 SOMATOSTATIN RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USING THE SAME CDRD VENTURES INC. (CA) 2019-02-07 — — US disclosed
US-9321774-B2 Pyrrolobenzodiazepines MEDIMMUNE LIMITED (GB) 2016-04-26 — — US disclosed
US-20150126495-A1 PYRROLOBENZODIAZEPINES MEDIMMUNE LIMITED (GB) 2015-05-07 — — US disclosed
US-7786122-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-31 — — US disclosed
US-20090036650-A1 Compounds and methods for peptide synthesis BIOGEN IDEC MA INC. 2009-02-05 — — US disclosed
US-20090036650-A1 Compounds and methods for peptide synthesis BIOGEN IDEC MA INC. 2009-02-05 — — US disclosed
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 — — US disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 — — 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 (6 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-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS APP, APBA1, BACE1 LTA4H 2827/4885ACACB 1072/4885ALDH1A1 1197/4885
US-20090036650-A1 Compounds and methods for peptide synthesis PTMS, NPPA, DNPEP LTA4H 2593/4885ACACB 3519/4885ALDH1A1 4847/4885
US-11279732-B2 Somatostatin receptor antagonist compounds and methods of using the same GPR119, SSTR5, SSTR2 LTA4H 2077/4885ACACB 2447/4885ALDH1A1 4077/4885
US-20220112242-A1 SOMATOSTATIN RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USING THE SAME GPR119, SSTR5, SSTR2 LTA4H 2064/4885ACACB 2404/4885ALDH1A1 4110/4885
US-20150126495-A1 PYRROLOBENZODIAZEPINES CHRM1, CHRM2, CHRM3 LTA4H 3616/4885ACACB 4716/4885ALDH1A1 3148/4885
US-20190040102-A1 SOMATOSTATIN RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USING THE SAME GPR119, SSTR5, SSTR2 LTA4H 2077/4885ACACB 2447/4885ALDH1A1 4077/4885

“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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