SCHEMBL650258

SCHEMBL650258

O=S(=O)(Cc1ccccc1)NC1Cc2cc(-c3ccc(F)cc3)ccc2N(Cc2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
NR1H2 P55055 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
FNTA P49354 3/20 0.40
FNTB P49356 3/20 0.40
DRD2 P14416 3/20 0.38
DRD4 P21917 2/20 0.38
BRD4 O60885 1/20 0.38
F10 P00742 2/20 0.37
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
TEAD1 P28347 1/20 0.36
ALOX5 P09917 2/20 0.36
EPHX2 P34913 2/20 0.36
F2 P00734 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
SCHEMBL650179 0.94 FNTA (0.41) MTNR1AMTNR1BNR1H2KMT2AMEN1
SCHEMBL651854 0.91 FNTA (0.44) MTNR1AMTNR1BFNTAFNTBBRD4
SCHEMBL651301 0.90 MTNR1A (0.38) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL651273 0.88 FNTA (0.49) MTNR1AMTNR1BNR1H2KMT2AMEN1
SCHEMBL651274 0.88 FNTA (0.49) MTNR1AMTNR1BNR1H2KMT2AMEN1
SCHEMBL651315 0.88 FNTA (0.49) MTNR1AMTNR1BNR1H2KMT2AMEN1
SCHEMBL651439 0.86 FNTA (0.44) MTNR1AMTNR1BNR1H2KMT2AMEN1
SCHEMBL649304 0.85 FNTA (0.45) MTNR1AMTNR1BNR1H2KMT2AMEN1
SCHEMBL650575 0.84 HSP90AA1 (0.41) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL651571 0.83 FNTA (0.40) MTNR1AMTNR1BKMT2AMEN1ALDH1A1

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 9 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-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 MTNR1A 173/4885MTNR1B 74/4885NR1H2 85/4885
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators CNR2, CNR1, OPRL1 MTNR1A 173/4885MTNR1B 74/4885NR1H2 85/4885
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 MTNR1A 173/4885MTNR1B 74/4885NR1H2 85/4885

“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.