SCHEMBL653588

SCHEMBL653588

CN(C)CCCOc1ccc(CN2CC(NS(=O)(=O)c3ccccc3)Cc3cc(Cl)ccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
HTR1A P08908 5/20 0.46
HTR7 P34969 5/20 0.46
UTS2R Q9UKP6 6/20 0.43
CACNA1B Q00975 3/20 0.42
LTA4H P09960 1/20 0.40
CACNA1H O95180 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
HTR6 P50406 1/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38

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 0.84 FNTA (0.55) FNTAFNTBHTR1AHTR7HDAC8
SCHEMBL651986 0.83 FNTA (0.53) FNTAFNTBHTR1AHTR7HDAC8
SCHEMBL652931 0.81 FNTA (0.51) FNTAFNTBHTR1AHTR7HDAC8
SCHEMBL649318 0.80 FNTA (0.51) FNTAFNTBHTR1AHTR7CACNA1H
SCHEMBL653026 0.79 FNTA (0.49) FNTAFNTBHDAC8
SCHEMBL652432 0.79 FNTA (0.51) FNTAFNTBHTR1AHTR7HDAC8
SCHEMBL651390 0.78 FNTA (0.49) FNTAFNTBHTR1AHTR7HDAC8
SCHEMBL651621 0.78 FNTA (0.50) FNTAFNTBHTR1AHTR7HDAC8
SCHEMBL652980 0.78 FNTA (0.49) FNTAFNTBHTR1AHTR7HDAC8
SCHEMBL651334 0.78 FNTA (0.49) FNTAFNTBHTR1AHTR7HDAC8

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 2071/4885HTR1A 38/4885
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators CNR2, CNR1, OPRL1 FNTA 1368/4885FNTB 2071/4885HTR1A 38/4885
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 FNTA 1368/4885FNTB 2071/4885HTR1A 38/4885

“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.