SCHEMBL650547

SCHEMBL650547

O=S(=O)(CC(F)(F)F)NC1Cc2cc(Cl)ccc2N(Cc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
TEAD1 P28347 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
HTT P42858 1/20 0.36
CETP P11597 2/20 0.36
PKM P14618 1/20 0.35
P2RX7 Q99572 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
DRD3 P35462 1/20 0.35
ALDH1A1 P00352 2/20 0.35
ALDH2 P05091 1/20 0.35
ALDH3A1 P30838 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC8 Q9BY41 3/20 0.34
HDAC1 Q13547 2/20 0.34

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
SCHEMBL651552 0.87 MTNR1A (0.51) MTNR1AMTNR1BTEAD1FNTAFNTB
SCHEMBL651258 0.83 FNTA (0.55) MTNR1AMTNR1BFNTAFNTBHTT
SCHEMBL651390 0.81 FNTA (0.49) MTNR1AMTNR1BFNTAFNTBHTT
SCHEMBL654001 0.81 FNTA (0.47) MTNR1AMTNR1BTEAD1FNTAFNTB
SCHEMBL651334 0.81 FNTA (0.49) MTNR1AMTNR1BFNTAFNTBHTT
SCHEMBL649814 0.80 FNTA (0.42) MTNR1AMTNR1BTEAD1FNTAFNTB
SCHEMBL651292 0.79 FNTA (0.48) MTNR1AMTNR1BFNTAFNTBHTT
SCHEMBL652980 0.79 FNTA (0.49) MTNR1AMTNR1BFNTAFNTBHTT
SCHEMBL650107 0.79 ALDH1A1 (0.46) MTNR1AMTNR1BFNTAFNTBHTT
SCHEMBL652373 0.79 FNTA (0.49) MTNR1AMTNR1BTEAD1FNTAFNTB

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-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 MTNR1A 173/4885MTNR1B 74/4885TEAD1 1745/4885
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators CNR2, CNR1, OPRL1 MTNR1A 173/4885MTNR1B 74/4885TEAD1 1745/4885
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 MTNR1A 173/4885MTNR1B 74/4885TEAD1 1745/4885

“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.