SCHEMBL651439

SCHEMBL651439

O=S(=O)(NC1Cc2cc(-c3ccc(F)cc3)ccc2N(Cc2ccccc2)C1)c1cc(F)cc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
CCR3 P51677 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
NR1H2 P55055 2/20 0.39
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
MGAT2 Q10469 2/20 0.38
UCHL1 P09936 1/20 0.37
F10 P00742 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
BRD4 O60885 1/20 0.37
NR1H3 Q13133 1/20 0.37
GNRHR P30968 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
SCHEMBL651315 0.94 FNTA (0.49) FNTAFNTBMTNR1AMTNR1BCCR3
SCHEMBL651273 0.94 FNTA (0.49) FNTAFNTBMTNR1AMTNR1BCCR3
SCHEMBL651274 0.94 FNTA (0.49) FNTAFNTBMTNR1AMTNR1BCCR3
SCHEMBL649304 0.93 FNTA (0.45) FNTAFNTBMTNR1AMTNR1BCCR3
SCHEMBL650565 0.89 HTR1A (0.46) FNTAFNTBMTNR1AMTNR1BCCR3
SCHEMBL653642 0.89 FNTA (0.47) FNTAFNTBCCR3NR1H2HTR1A
SCHEMBL654001 0.88 FNTA (0.47) FNTAFNTBMTNR1AMTNR1BCCR3
SCHEMBL651819 0.88 FNTA (0.45) FNTAFNTBMTNR1AMTNR1BCCR3
SCHEMBL648896 0.88 FNTA (0.43) FNTAFNTBMTNR1AMTNR1BCCR3
SCHEMBL650945 0.88 FNTA (0.47) FNTAFNTBMTNR1AMTNR1BCCR3

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 2071/4885MTNR1A 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.