SCHEMBL651301

SCHEMBL651301

O=S(=O)(Cc1ccccn1)NC1Cc2cc(-c3ccc(F)cc3)ccc2N(Cc2ccccc2)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
FNTA P49354 4/20 0.36
FNTB P49356 4/20 0.36
PKM P14618 1/20 0.36
RORC P51449 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
BRD4 O60885 1/20 0.35
PAX8 Q06710 1/20 0.34
GNRHR P30968 1/20 0.34
SIGMAR1 Q99720 1/20 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
SCHEMBL650258 0.90 MTNR1A (0.42) MTNR1AMTNR1BFNTAFNTBMEN1
SCHEMBL650179 0.89 FNTA (0.41) MTNR1AMTNR1BFNTAFNTBMEN1
SCHEMBL651854 0.87 FNTA (0.44) MTNR1AMTNR1BGRIN1GRIN2BFNTA
SCHEMBL651571 0.87 FNTA (0.40) MTNR1AMTNR1BGRIN1GRIN2BFNTA
SCHEMBL651273 0.82 FNTA (0.49) MTNR1AMTNR1BFNTAFNTBMEN1
SCHEMBL651315 0.82 FNTA (0.49) MTNR1AMTNR1BFNTAFNTBMEN1
SCHEMBL651274 0.82 FNTA (0.49) MTNR1AMTNR1BFNTAFNTBMEN1
SCHEMBL651439 0.81 FNTA (0.44) MTNR1AMTNR1BFNTAFNTBPKM
SCHEMBL653070 0.80 FNTA (0.48) FNTAFNTBBRD4GNRHR
SCHEMBL649304 0.79 FNTA (0.45) MTNR1AMTNR1BFNTAFNTBMEN1

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-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
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 74/4885GRIN1 98/4885
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators CNR2, CNR1, OPRL1 MTNR1A 173/4885MTNR1B 74/4885GRIN1 98/4885
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 MTNR1A 173/4885MTNR1B 74/4885GRIN1 98/4885

“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.