SCHEMBL652675

SCHEMBL652675

O=S(=O)(NC1Cc2cc(Cl)ccc2N(Cc2ccccc2)C1)c1ccc(Br)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HSP90AA1 P07900 1/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
KMT2A Q03164 1/20 0.40
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
HTT P42858 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
TP53 P04637 1/20 0.37
HTR6 P50406 3/20 0.36
HTR1A P08908 2/20 0.36
DRD2 P14416 2/20 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
SCHEMBL652456 0.88 FNTA (0.43) FNTAFNTBMTNR1AMTNR1BPSEN1
SCHEMBL651614 0.86 FNTA (0.42) ALDH1A1FNTAFNTBMTNR1AMTNR1B
SCHEMBL650107 0.85 ALDH1A1 (0.46) ALDH1A1FNTAFNTBMTNR1AMTNR1B
SCHEMBL651264 0.84 F10 (0.48) FNTAFNTBHTR6
SCHEMBL651258 0.84 FNTA (0.55) ALDH1A1FNTAFNTBMTNR1AMTNR1B
SCHEMBL652980 0.83 FNTA (0.49) ALDH1A1FNTAFNTBMTNR1AMTNR1B
SCHEMBL651390 0.82 FNTA (0.49) ALDH1A1FNTAFNTBMTNR1AMTNR1B
SCHEMBL650932 0.81 FNTA (0.42) FNTAFNTBMTNR1AMTNR1BPSEN1
SCHEMBL652931 0.81 FNTA (0.51) ALDH1A1FNTAFNTBMTNR1AMTNR1B
SCHEMBL653030 0.80 FNTA (0.46) ALDH1A1FNTAFNTBMTNR1AMTNR1B

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 HPGD 1033/4885ALDH1A1 3577/4885HSP90AA1 4170/4885
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators CNR2, CNR1, OPRL1 HPGD 1033/4885ALDH1A1 3577/4885HSP90AA1 4170/4885
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 HPGD 1033/4885ALDH1A1 3577/4885HSP90AA1 4170/4885

“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.