SCHEMBL653027

SCHEMBL653027

Cc1nc(C)c(CN2CC(NS(=O)(=O)c3ccccc3)Cc3cc(Cl)ccc32)s1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.51
FNTB P49356 1/20 0.51
HDAC8 Q9BY41 1/20 0.43
PARG Q86W56 11/20 0.43
HTT P42858 1/20 0.40
TBXA2R P21731 1/20 0.38
APOB P04114 1/20 0.37
MTTP P55157 1/20 0.37
NR1H2 P55055 2/20 0.37
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
ADPRS Q9NX46 1/20 0.35

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 0.83 FNTA (0.55) FNTAFNTBHDAC8HTTTBXA2R
SCHEMBL652931 0.82 FNTA (0.51) FNTAFNTBHDAC8HTTTBXA2R
SCHEMBL654552 0.79 FNTA (0.57) FNTAFNTBHDAC8HTTTBXA2R
SCHEMBL651621 0.79 FNTA (0.50) FNTAFNTBHDAC8HTTAPOB
SCHEMBL651334 0.79 FNTA (0.49) FNTAFNTBHDAC8HTTTBXA2R
SCHEMBL652980 0.79 FNTA (0.49) FNTAFNTBHDAC8HTTTBXA2R
SCHEMBL652865 0.79 FNTA (0.47) FNTAFNTBHDAC8HTTTBXA2R
SCHEMBL650423 0.79 FNTA (0.50) FNTAFNTBHDAC8HTTTBXA2R
SCHEMBL653026 0.78 FNTA (0.49) FNTAFNTBHDAC8HTTTBXA2R
SCHEMBL652432 0.78 FNTA (0.51) FNTAFNTBHDAC8HTTTBXA2R

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 2071/4885HDAC8 2618/4885
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators CNR2, CNR1, OPRL1 FNTA 1368/4885FNTB 2071/4885HDAC8 2618/4885
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 FNTA 1368/4885FNTB 2071/4885HDAC8 2618/4885

“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.