SCHEMBL8737437

SCHEMBL8737437

Cc1ccc(C(C)C)c2c1CCO2

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MAPT P10636 2/20 0.33
GPR55 Q9Y2T6 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
RECQL P46063 1/20 0.33
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32

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
SCHEMBL19297065 0.91 MAPT (0.33) MAOAMAOBMAPTGPR55CRHBP
SCHEMBL6124122 0.86 HTR2A (0.34) HTR2AHTR2CHTR2B
SCHEMBL8737441 0.85 MAOA (0.37) MAOAMAOBGPR55HTR2AHTR2C
SCHEMBL22016768 0.80 HTR2A (0.31) HTR2AHTR2CHTR2B
SCHEMBL19982252 0.80 HTR2A (0.31) HTR2AHTR2CHTR2B
SCHEMBL6127893 0.80 MAOA (0.47) MAOAMAOBHTR2AHTR2CHTR2B
SCHEMBL19297008 0.79 HTR2C (0.33) HTR2AHTR2CHTR2B
SCHEMBL8053197 0.79 MAOA (0.43) MAOAMAOBHTR2AHTR2CHTR2B
SCHEMBL12052976 0.79 GPR55 (0.40) MAPTGPR55CRHBPCRHR2RECQL
SCHEMBL20131067 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245158-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-09-27 US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 US disclosed
US-20110263529-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2011-10-27 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 (4 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-20120245158-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 MAOA 1793/4885MAOB 2028/4885MAPT 386/4885
US-20120129846-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 MAOA 1838/4885MAOB 2160/4885MAPT 332/4885
US-20100298372-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 MAOA 1548/4885MAOB 1674/4885MAPT 325/4885
US-20110263529-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 MAOA 2478/4885MAOB 3086/4885MAPT 317/4885

“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.