SCHEMBL8737225

SCHEMBL8737225

Cc1ccc(C(C)C)c2cnsc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 2/20 0.38
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
LMNA P02545 2/20 0.31
CNR2 P34972 1/20 0.31
TRPA1 O75762 1/20 0.31
CHRM1 P11229 1/20 0.31
SLC6A2 P23975 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL6124112 0.88
SCHEMBL9606631 0.87 GPR55 (0.33) GPR55
SCHEMBL23839412 0.84 TSHR (0.33)
SCHEMBL6127891 0.81 CYP1A2 (0.36)
SCHEMBL4808435 0.74 OPRK1 (0.36) LMNASLC6A2
SCHEMBL6124231 0.73 CYP2E1 (0.38)
SCHEMBL8737563 0.71 GPR55 (0.39) GPR55LMNACNR2TRPA1CHRM1
SCHEMBL19297139 0.69 GPR55 (0.41) GPR55RARARARBRARGLMNA
SCHEMBL13913276 0.69 GABRA1 (0.39) LMNASLC6A2HTR2B
SCHEMBL12899434 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 US disclosed
US-20100297128-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2010-11-25 US disclosed
US-20100298359-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2010-11-25 US disclosed
US-20100298372-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 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 (5 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 GPR55 1767/4885RARA 4192/4885RARB 2958/4885
US-20100297128-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 GPR55 1250/4885RARA 4418/4885RARB 3290/4885
US-20120129846-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 GPR55 1220/4885RARA 4419/4885RARB 3721/4885
US-20100298372-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 GPR55 1495/4885RARA 4287/4885RARB 3147/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 GPR55 1767/4885RARA 4192/4885RARB 2958/4885

“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.