SCHEMBL654189

SCHEMBL654189

Cc1noc(C)c1S(=O)(=O)NC1Cc2cc(-c3ccc(F)cc3)ccc2N(Cc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.44
NR3C2 P08235 4/20 0.43
NR3C1 P04150 3/20 0.43
ALDH1A1 P00352 2/20 0.42
AKT1 P31749 1/20 0.40
ACLY P53396 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGR P06401 2/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.38
RORC P51449 1/20 0.37
HTR7 P34969 1/20 0.37
POLB P06746 1/20 0.37
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36

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
SCHEMBL652635 0.87 ALDH1A1 (0.45) NR1H2NR3C2NR3C1ALDH1A1AKT1
SCHEMBL651315 0.83 FNTA (0.49) NR1H2ALDH1A1FNTAFNTBMTNR1A
SCHEMBL651274 0.83 FNTA (0.49) NR1H2ALDH1A1FNTAFNTBMTNR1A
SCHEMBL651273 0.83 FNTA (0.49) NR1H2ALDH1A1FNTAFNTBMTNR1A
SCHEMBL650162 0.82 FNTA (0.41) NR1H2ALDH1A1FNTAFNTBMTNR1A
SCHEMBL651439 0.82 FNTA (0.44) NR1H2ALDH1A1FNTAFNTBMTNR1A
SCHEMBL651622 0.81 FNTA (0.47) NR1H2FNTAFNTBMTNR1AMTNR1B
SCHEMBL651819 0.81 FNTA (0.45) NR1H2ALDH1A1FNTAFNTBMTNR1A
SCHEMBL651571 0.80 FNTA (0.40) ALDH1A1FNTAFNTBMTNR1AMTNR1B
SCHEMBL650519 0.80 FNTA (0.43) NR1H2ALDH1A1FNTAFNTBMTNR1A

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 7 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

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 NR1H2 85/4885NR3C2 1246/4885NR3C1 530/4885
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators CNR2, CNR1, OPRL1 NR1H2 85/4885NR3C2 1246/4885NR3C1 530/4885
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 NR1H2 85/4885NR3C2 1246/4885NR3C1 530/4885

“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.