SCHEMBL653030

SCHEMBL653030

O=S(=O)(NC1Cc2cc(Cl)ccc2N(Cc2ccccc2)C1)c1ccsc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.46
FNTB P49356 4/20 0.46
HTT P42858 1/20 0.43
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
HDAC8 Q9BY41 1/20 0.40
OPRK1 P41145 1/20 0.39
F10 P00742 1/20 0.37
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TBXA2R P21731 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
HTR1A P08908 2/20 0.35
HTR7 P34969 2/20 0.35
SCN9A Q15858 1/20 0.35
THRB P10828 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
SCHEMBL651258 0.89 FNTA (0.55) FNTAFNTBHTTMTNR1AMTNR1B
SCHEMBL651390 0.87 FNTA (0.49) FNTAFNTBHTTMTNR1AMTNR1B
SCHEMBL654001 0.84 FNTA (0.47) FNTAFNTBHTTMTNR1AMTNR1B
SCHEMBL650107 0.84 ALDH1A1 (0.46) FNTAFNTBHTTMTNR1AMTNR1B
SCHEMBL652980 0.84 FNTA (0.49) FNTAFNTBHTTMTNR1AMTNR1B
SCHEMBL651334 0.84 FNTA (0.49) FNTAFNTBHTTMTNR1AMTNR1B
SCHEMBL652544 0.84 FNTA (0.47) FNTAFNTBHTTMTNR1AMTNR1B
SCHEMBL652931 0.83 FNTA (0.51) FNTAFNTBHTTMTNR1AMTNR1B
SCHEMBL651621 0.83 FNTA (0.50) FNTAFNTBHTTMTNR1AMTNR1B
SCHEMBL651292 0.83 FNTA (0.48) FNTAFNTBHTTMTNR1AMTNR1B

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 FNTA 1368/4885FNTB 2071/4885HTT 337/4885
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators CNR2, CNR1, OPRL1 FNTA 1368/4885FNTB 2071/4885HTT 337/4885
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 FNTA 1368/4885FNTB 2071/4885HTT 337/4885

“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.