SCHEMBL17346802

SCHEMBL17346802

COc1ccc(CCC2CC2c2ccc(OC)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.61
MAOB P27338 5/20 0.51
KDM1A O60341 4/20 0.51
MAOA P21397 3/20 0.51
TAAR1 Q96RJ0 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
CALM1 P0DP23 1/20 0.42

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
SCHEMBL18906092 0.94 HTR2C (0.55) HTR2CMAOBKDM1AMAOATAAR1
SCHEMBL6250305 0.81 HTR2C (0.63) HTR2CMAOBKDM1AMAOADRD2
SCHEMBL6056591 0.80 HTR2C (0.61) HTR2CMAOBKDM1AMAOADRD2
SCHEMBL23995535 0.79 HTR2C (0.69) HTR2CMAOBKDM1AMAOADRD2
SCHEMBL16591278 0.79 HTR2C (0.69) HTR2CMAOBKDM1AMAOADRD2
SCHEMBL6056599 0.79 HTR2C (0.59) HTR2CMAOBKDM1AMAOADRD2
SCHEMBL17346800 0.77 ESR1 (0.46) HTR2CMAOBKDM1ATAAR1SIGMAR1
SCHEMBL17985307 0.77 HTR2C (0.67) HTR2CMAOBKDM1AMAOADRD2
SCHEMBL16585494 0.77 HTR2C (0.67) HTR2CMAOBKDM1AMAOADRD2
SCHEMBL24529204 0.77 HTR2C (0.67) HTR2CMAOBKDM1AMAOADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9994518-B2 Alpha-7 nicotinic acetylcholine receptor modulators and uses thereof MERCK SHARP & DOHME CORP. (US) 2018-06-12 US disclosed
US-20170152221-A1 ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2017-06-01 US disclosed
WO-2015191799-A1 ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2015-12-17 WO 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 (1 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-20170152221-A1 ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF CHRNA7, CHRNA10, CHRNA5 HTR2C 455/4885MAOB 332/4885KDM1A 2503/4885

“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.