SCHEMBL652456

SCHEMBL652456

O=S(=O)(NC1Cc2cc(Cl)ccc2N(Cc2ccccc2)C1)c1cc(Br)c(Br)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
HDAC8 Q9BY41 3/20 0.39
HTT P42858 1/20 0.37
MMP8 P22894 2/20 0.36
MMP3 P08254 1/20 0.36
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
DRD2 P14416 4/20 0.34
HTR7 P34969 4/20 0.34
HTR6 P50406 4/20 0.34
HTR1A P08908 2/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 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
SCHEMBL652675 0.88 HPGD (0.43) FNTAFNTBMTNR1AMTNR1BHDAC8
SCHEMBL651614 0.87 FNTA (0.42) FNTAFNTBMTNR1AMTNR1BHDAC8
SCHEMBL650107 0.85 ALDH1A1 (0.46) FNTAFNTBMTNR1AMTNR1BHTT
SCHEMBL651258 0.83 FNTA (0.55) FNTAFNTBMTNR1AMTNR1BHDAC8
SCHEMBL652980 0.83 FNTA (0.49) FNTAFNTBMTNR1AMTNR1BHDAC8
SCHEMBL651390 0.81 FNTA (0.49) FNTAFNTBMTNR1AMTNR1BHDAC8
SCHEMBL650517 0.80 FNTA (0.47) FNTAFNTBMTNR1AMTNR1BHDAC8
Benzenesulfonamide SCHEMBL5044828 0.80 FNTA (0.47) FNTAFNTBMTNR1AMTNR1BHDAC8
SCHEMBL651264 0.80 F10 (0.48) FNTAFNTBMMP8MMP3HTR6
SCHEMBL653030 0.79 FNTA (0.46) FNTAFNTBMTNR1AMTNR1BHDAC8

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 2071/4885MTNR1A 173/4885
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators CNR2, CNR1, OPRL1 FNTA 1368/4885FNTB 2071/4885MTNR1A 173/4885
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 FNTA 1368/4885FNTB 2071/4885MTNR1A 173/4885

“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.