SCHEMBL651986

SCHEMBL651986

N#CCCOc1ccc(S(=O)(=O)NC2Cc3cc(Cl)ccc3N(Cc3ccccc3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.53
FNTB P49356 2/20 0.53
UCHL1 P09936 1/20 0.45
USP30 Q70CQ3 1/20 0.45
HTR1A P08908 9/20 0.45
HTR7 P34969 9/20 0.45
HTT P42858 1/20 0.43
THRB P10828 1/20 0.42
HDAC8 Q9BY41 1/20 0.40
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
DRD2 P14416 1/20 0.38
HTR6 P50406 1/20 0.38
F10 P00742 1/20 0.37

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
SCHEMBL651258 0.85 FNTA (0.55) FNTAFNTBHTR1AHTR7HTT
SCHEMBL651578 0.85 FNTA (0.62) FNTAFNTBHTTTHRBHDAC8
SCHEMBL650207 0.84 FNTA (0.61) FNTAFNTBHTR1AHTR7HTT
SCHEMBL653588 0.83 FNTA (0.48) FNTAFNTBHTR1AHTR7HDAC8
SCHEMBL652980 0.83 FNTA (0.49) FNTAFNTBHTR1AHTR7HTT
SCHEMBL651334 0.83 FNTA (0.49) FNTAFNTBHTR1AHTR7HTT
SCHEMBL651452 0.82 FNTA (0.67) FNTAFNTBHTR1AHTR7HTT
SCHEMBL651451 0.82 FNTA (0.67) FNTAFNTBHTR1AHTR7HTT
SCHEMBL652931 0.82 FNTA (0.51) FNTAFNTBHTR1AHTR7HTT
SCHEMBL653554 0.82 FNTA (0.71) FNTAFNTBTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884113-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-08 US claimed
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-14 US claimed
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2005-01-20 US claimed
US-8119808-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-21 US disclosed
US-20110104315-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2011-05-05 US disclosed
US-7884113-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-08 US disclosed
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-14 US disclosed
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2005-01-20 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 (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-20110104315-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 FNTA 1368/4885FNTB 2071/4885UCHL1 3346/4885
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators CNR2, CNR1, OPRL1 FNTA 1368/4885FNTB 2071/4885UCHL1 3346/4885
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 FNTA 1368/4885FNTB 2071/4885UCHL1 3346/4885

“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.