SCHEMBL653070

SCHEMBL653070

O=S(=O)(NC1Cc2cc(-c3ccc(F)cc3)ccc2N(Cc2ccccc2)C1)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.48
FNTB P49356 4/20 0.48
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
CACNA1G O43497 2/20 0.41
CACNA1H O95180 2/20 0.41
CACNA1I Q9P0X4 2/20 0.41
BRD4 O60885 1/20 0.41
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
NPY5R Q15761 4/20 0.40
TBXA2R P21731 1/20 0.40
TBXAS1 P24557 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
GNRHR P30968 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
SCHEMBL651274 0.91 FNTA (0.49) FNTAFNTBHTR1AHTR7
SCHEMBL651315 0.91 FNTA (0.49) FNTAFNTBHTR1AHTR7
SCHEMBL651273 0.91 FNTA (0.49) FNTAFNTBHTR1AHTR7
SCHEMBL654134 0.89 FNTA (0.53) FNTAFNTBCYP11B1CYP11B2BRD4
SCHEMBL651854 0.88 FNTA (0.44) FNTAFNTBCYP11B1CYP11B2CACNA1G
SCHEMBL649304 0.88 FNTA (0.45) FNTAFNTBHTR1AHTR7HDAC8
SCHEMBL651439 0.87 FNTA (0.44) FNTAFNTBBRD4HTR1AHTR7
SCHEMBL651456 0.86 FNTA (0.53) FNTAFNTBBRD4
SCHEMBL650565 0.86 HTR1A (0.46) FNTAFNTBHTR1AHTR7HDAC8
SCHEMBL653642 0.86 FNTA (0.47) FNTAFNTBHTR1AHTR7

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 2071/4885CYP11B1 354/4885
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators CNR2, CNR1, OPRL1 FNTA 1368/4885FNTB 2071/4885CYP11B1 354/4885
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 FNTA 1368/4885FNTB 2071/4885CYP11B1 354/4885

“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.