SCHEMBL8737441

SCHEMBL8737441

Cc1ccc(C(C)C)c2c1OCC2

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
GPR55 Q9Y2T6 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
SCHEMBL19297141 0.91 GPR55 (0.33) GPR55HTR2AHTR2CHTR2B
SCHEMBL6124122 0.86 HTR2A (0.34) HTR2AHTR2CHTR2B
SCHEMBL8737437 0.85 MAOA (0.40) MAOAMAOBGPR55HTR2AHTR2C
SCHEMBL19982252 0.84 HTR2A (0.31) HTR2AHTR2CHTR2B
SCHEMBL22016767 0.80 HTR2A (0.31) HTR2AHTR2CHTR2B
SCHEMBL6127893 0.80 MAOA (0.47) MAOAMAOBHTR2AHTR2CHTR2B
SCHEMBL19297008 0.79 HTR2C (0.33) HTR2AHTR2CHTR2B
SCHEMBL12052976 0.79 GPR55 (0.40) GPR55HTR2B
SCHEMBL25146229 0.77
SCHEMBL19297065 0.76 MAPT (0.33) MAOAMAOBGPR55HTR2AHTR2C

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-20120238546-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-09-20 US disclosed
US-20120232108-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-09-13 US disclosed
US-20120135980-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-05-31 US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 US disclosed
US-20120107328-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2012-05-03 US disclosed
US-20110263529-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2011-10-27 US disclosed
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE SCHERING CORPORATION 2011-02-03 US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 US disclosed
US-20100298372-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

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-20100298359-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 MAOA 1887/4885MAOB 1916/4885GPR55 1767/4885
US-20120107328-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 MAOA 1548/4885MAOB 1674/4885GPR55 1495/4885
US-20120232108-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 MAOA 1793/4885MAOB 2028/4885GPR55 1611/4885
US-20120135980-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP MAOA 1348/4885MAOB 1322/4885GPR55 1389/4885
US-20120129846-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 MAOA 1838/4885MAOB 2160/4885GPR55 1220/4885
US-20100298372-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 MAOA 1548/4885MAOB 1674/4885GPR55 1495/4885
US-20110263529-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 MAOA 2478/4885MAOB 3086/4885GPR55 1488/4885
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, PSEN1 MAOA 853/4885MAOB 1111/4885GPR55 1244/4885
US-20120238546-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 MAOA 1481/4885MAOB 1595/4885GPR55 1527/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 MAOA 1887/4885MAOB 1916/4885GPR55 1767/4885

“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.