SCHEMBL650945

SCHEMBL650945

O=S(=O)(NC1Cc2cc(-c3ccc(F)cc3)ccc2N(Cc2cccc(Cl)c2)C1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
CCR3 P51677 1/20 0.42
HTR1A P08908 6/20 0.41
HTR7 P34969 6/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
APOB P04114 2/20 0.39
MTTP P55157 2/20 0.39
DRD2 P14416 2/20 0.39
HTR6 P50406 2/20 0.39
ADRA1D P25100 1/20 0.39
HTR2A P28223 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
F10 P00742 2/20 0.38
NR1H2 P55055 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 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
SCHEMBL650565 0.96 HTR1A (0.46) FNTAFNTBCCR3HTR1AHTR7
SCHEMBL651274 0.94 FNTA (0.49) FNTAFNTBCCR3HTR1AHTR7
SCHEMBL651273 0.94 FNTA (0.49) FNTAFNTBCCR3HTR1AHTR7
SCHEMBL651315 0.94 FNTA (0.49) FNTAFNTBCCR3HTR1AHTR7
SCHEMBL653642 0.92 FNTA (0.47) FNTAFNTBCCR3HTR1AHTR7
SCHEMBL649304 0.90 FNTA (0.45) FNTAFNTBCCR3HTR1AHTR7
SCHEMBL651622 0.90 FNTA (0.47) FNTAFNTBCCR3HTR1AHTR7
SCHEMBL651439 0.88 FNTA (0.44) FNTAFNTBCCR3HTR1AHTR7
SCHEMBL651316 0.88 FNTA (0.48) FNTAFNTBCCR3HTR1AHTR7
SCHEMBL651334 0.88 FNTA (0.49) FNTAFNTBCCR3HTR1AHTR7

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 2071/4885CCR3 1873/4885
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators CNR2, CNR1, OPRL1 FNTA 1368/4885FNTB 2071/4885CCR3 1873/4885
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 FNTA 1368/4885FNTB 2071/4885CCR3 1873/4885

“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.