SCHEMBL6679797

SCHEMBL6679797

CCC(Cl)Cc1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.61
TAAR1 Q96RJ0 3/20 0.46
CHRM2 P08172 1/20 0.44
CYP3A4 P08684 2/20 0.44
IDO1 P14902 2/20 0.44
AGXT P21549 2/20 0.44
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
AOC3 Q16853 1/20 0.43
HTR3E A5X5Y0 3/20 0.42
HTR3B O95264 3/20 0.42
HTR3A P46098 3/20 0.42
HTR3D Q70Z44 3/20 0.42
HTR3C Q8WXA8 3/20 0.42
SIGMAR1 Q99720 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
PYCR1 P32322 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
SCHEMBL6685017 0.85 PNMT (0.58) PNMTTAAR1CHRM2CYP3A4IDO1
SCHEMBL13302617 0.81 PNMT (0.62) PNMTTAAR1CHRM2CYP3A4IDO1
SCHEMBL2632465 0.81 PNMT (0.67) PNMTTAAR1CHRM2CYP3A4IDO1
SCHEMBL21779350 0.81 PNMT (0.67) PNMTTAAR1CHRM2CYP3A4IDO1
SCHEMBL10585919 0.79 PNMT (0.59) PNMTTAAR1CHRM2CYP3A4IDO1
SCHEMBL6684301 0.79 CYP1A2 (0.45) PNMTTAAR1IDO1AGXTSIGMAR1
SCHEMBL11468004 0.78 PNMT (0.53) PNMTTAAR1CHRM2CYP3A4IDO1
SCHEMBL777207 0.78 PNMT (0.74) PNMTTAAR1CHRM2CYP3A4IDO1
SCHEMBL2241799 0.77 TRPA1 (0.50) TAAR1SIGMAR1SLC6A2SLC6A4
SCHEMBL11565773 0.77 PNMT (0.51) PNMTTAAR1CHRM2CYP3A4IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144698-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2010-06-10 US disclosed
US-20090143351-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2009-06-04 US disclosed
US-7501404-B2 Substituted azetidinones DAIMED (US) 2009-03-10 US disclosed
US-20070105832-A1 Substituted azetidinones Cadrenal Therapeutics, Inc. 2007-05-10 US disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP 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 (3 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-20070105832-A1 Substituted azetidinones F2R, CPA3, CFD PNMT 3501/4885TAAR1 2859/4885CHRM2 1536/4885
US-20100144698-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD PNMT 3501/4885TAAR1 2859/4885CHRM2 1536/4885
US-20090143351-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD PNMT 3501/4885TAAR1 2859/4885CHRM2 1536/4885

“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.