SCHEMBL650519

SCHEMBL650519

Cc1nc(S(=O)(=O)NC2Cc3cc(-c4ccc(F)cc4)ccc3N(Cc3ccccc3)C2)cn1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.43
FNTB P49356 4/20 0.43
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.36
MGAT2 Q10469 1/20 0.35
BRD4 O60885 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
GNRHR P30968 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL651806 0.88 KMT2A (0.53) FNTAFNTBMTNR1AMTNR1BKMT2A
SCHEMBL649684 0.87 FNTA (0.47) FNTAFNTBMTNR1AMTNR1BKMT2A
SCHEMBL650162 0.85 FNTA (0.41) FNTAFNTBMTNR1AMTNR1BKMT2A
SCHEMBL651571 0.84 FNTA (0.40) FNTAFNTBMTNR1AMTNR1BKMT2A
SCHEMBL651274 0.83 FNTA (0.49) FNTAFNTBMTNR1AMTNR1BKMT2A
SCHEMBL651273 0.83 FNTA (0.49) FNTAFNTBMTNR1AMTNR1BKMT2A
SCHEMBL651315 0.83 FNTA (0.49) FNTAFNTBMTNR1AMTNR1BKMT2A
SCHEMBL651439 0.82 FNTA (0.44) FNTAFNTBMTNR1AMTNR1BKMT2A
SCHEMBL651819 0.81 FNTA (0.45) FNTAFNTBMTNR1AMTNR1BMGAT2
SCHEMBL654189 0.80 NR1H2 (0.44) FNTAFNTBMTNR1AMTNR1BBRD4

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-8119808-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-21 US claimed
US-20110104315-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2011-05-05 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 2071/4885MTNR1A 173/4885
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators CNR2, CNR1, OPRL1 FNTA 1368/4885FNTB 2071/4885MTNR1A 173/4885
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 FNTA 1368/4885FNTB 2071/4885MTNR1A 173/4885

“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.