SCHEMBL8738604

SCHEMBL8738604

COc1cc(C(C)C)ccc1-n1ccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.57
CYP11B1 P15538 2/20 0.57
CYP11B2 P19099 2/20 0.57
AAK1 Q2M2I8 1/20 0.52
CGAS Q8N884 1/20 0.46
POLB P06746 2/20 0.45
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C19 P33261 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL6127820 0.87 CYP11B1 (0.53) CYP19A1CYP11B1CYP11B2AAK1CGAS
SCHEMBL12913425 0.80 PDE4A (0.42) CYP19A1CYP11B1CYP11B2POLBCYP1A2
SCHEMBL28004650 0.80 CYP19A1 (0.66) CYP19A1CYP11B1CYP11B2AAK1CGAS
SCHEMBL9290092 0.80 CYP11B1 (0.61) CYP19A1CYP11B1CYP11B2AAK1CGAS
SCHEMBL25442239 0.79 CRHR1 (0.39) CYP19A1CYP11B1CYP11B2ALDH1A1LMNA
SCHEMBL1037506 0.79 CYP11B1 (0.60) CYP19A1CYP11B1CYP11B2AAK1CGAS
SCHEMBL12913434 0.79 CYP19A1 (0.42) CYP19A1CYP11B1CYP11B2AAK1CYP1A2
SCHEMBL27159848 0.79 CYP11B1 (0.60) CYP19A1CYP11B1CYP11B2AAK1CGAS
SCHEMBL25442215 0.79 IDO1 (0.45) CYP19A1CYP11B1CYP11B2CGASCYP1A2
SCHEMBL4849093 0.79 CYP11B1 (0.60) CYP19A1CYP11B1CYP11B2AAK1CGAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 US disclosed
US-8426595-B2 Gamma secretase modulators MERCK SHARP & DOHME LLC 2013-04-23 US disclosed
US-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 US disclosed
US-20110082153-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-04-07 US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 US disclosed
US-20100298381-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100298372-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100297128-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2010-11-25 US disclosed
US-20100298381-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100298359-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2010-11-25 US disclosed
US-20100298359-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2010-11-25 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 (8 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-20100298359-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CYP19A1 1297/4885CYP11B1 2305/4885CYP11B2 2437/4885
US-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND BACE1, STS, APP CYP19A1 2333/4885CYP11B1 2659/4885CYP11B2 2672/4885
US-20100297128-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CYP19A1 657/4885CYP11B1 1243/4885CYP11B2 1557/4885
US-20110082153-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CYP19A1 1488/4885CYP11B1 1738/4885CYP11B2 2376/4885
US-20120129846-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CYP19A1 1606/4885CYP11B1 1688/4885CYP11B2 2186/4885
US-20100298372-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CYP19A1 1488/4885CYP11B1 1738/4885CYP11B2 2376/4885
US-20100298381-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSENEN CYP19A1 3151/4885CYP11B1 3196/4885CYP11B2 3799/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CYP19A1 1297/4885CYP11B1 2305/4885CYP11B2 2437/4885

“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.