SCHEMBL650575

SCHEMBL650575

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 4/20 0.39
PKM P14618 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
BRD4 O60885 2/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 1/20 0.37
PTGES2 Q9H7Z7 2/20 0.37
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
TEAD1 P28347 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35

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 0.84 MTNR1A (0.42) KMT2AMTNR1AMTNR1BBRD4ALDH1A1
SCHEMBL651274 0.84 FNTA (0.49) KMT2AMTNR1AMTNR1BALDH1A1MEN1
SCHEMBL651273 0.84 FNTA (0.49) KMT2AMTNR1AMTNR1BALDH1A1MEN1
SCHEMBL651315 0.84 FNTA (0.49) KMT2AMTNR1AMTNR1BALDH1A1MEN1
SCHEMBL651439 0.82 FNTA (0.44) SMN1; SMN2KMT2APKMMTNR1AMTNR1B
SCHEMBL649304 0.81 FNTA (0.45) KMT2AMTNR1AMTNR1BALDH1A1MEN1
SCHEMBL650565 0.79 HTR1A (0.46) MTNR1AMTNR1BFNTAFNTBDRD2
SCHEMBL651571 0.79 FNTA (0.40) KMT2AMTNR1AMTNR1BBRD4ALDH1A1
SCHEMBL650179 0.79 FNTA (0.41) KMT2AMTNR1AMTNR1BBRD4ALDH1A1
SCHEMBL653642 0.79 FNTA (0.47) FNTAFNTB

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 10 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-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 HSP90AA1 4170/4885SMN1; SMN2 3460/4885MAPK1 1461/4885
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators CNR2, CNR1, OPRL1 HSP90AA1 4170/4885SMN1; SMN2 3460/4885MAPK1 1461/4885
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 HSP90AA1 4170/4885SMN1; SMN2 3460/4885MAPK1 1461/4885

“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.