SCHEMBL650517

SCHEMBL650517

O=S(=O)(NC1Cc2cc(Cl)ccc2N(Cc2ccccc2)C1)c1cnc(Cl)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
DRD2 P14416 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 8/20 0.41
PKM P14618 2/20 0.41
JAK2 O60674 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
HTT P42858 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL651258 0.86 FNTA (0.55) FNTAFNTBALDH1A1PKMHTT
SCHEMBL652980 0.85 FNTA (0.49) FNTAFNTBALDH1A1PKMHTT
SCHEMBL651390 0.84 FNTA (0.49) FNTAFNTBALDH1A1PKMHTT
Benzenesulfonamide SCHEMBL5044828 0.82 FNTA (0.47) FNTAFNTBALDH1A1PKMHTT
SCHEMBL654001 0.81 FNTA (0.47) FNTAFNTBALDH1A1PKMHTT
SCHEMBL651334 0.81 FNTA (0.49) FNTAFNTBDRD2ALDH1A1PKM
SCHEMBL652931 0.81 FNTA (0.51) FNTAFNTBALDH1A1PKMHTT
SCHEMBL652456 0.80 FNTA (0.43) FNTAFNTBDRD2HTTHDAC8
SCHEMBL653030 0.80 FNTA (0.46) FNTAFNTBALDH1A1PKMHTT
SCHEMBL651292 0.80 FNTA (0.48) FNTAFNTBDRD2ADRA1DADRA1A

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 2071/4885DRD2 178/4885
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators CNR2, CNR1, OPRL1 FNTA 1368/4885FNTB 2071/4885DRD2 178/4885
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 FNTA 1368/4885FNTB 2071/4885DRD2 178/4885

“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.