SCHEMBL649684

SCHEMBL649684

Cc1nc(S(=O)(=O)NC2Cc3cc(Cl)ccc3N(Cc3ccccc3)C2)cn1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.47
FNTB P49356 6/20 0.47
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
KMT2A Q03164 2/20 0.41
HDAC8 Q9BY41 1/20 0.38
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
TRIM24 O15164 1/20 0.35
LMNA P02545 1/20 0.34
MEN1 O00255 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
SCHEMBL650519 0.87 FNTA (0.43) FNTAFNTBMTNR1AMTNR1BKMT2A
SCHEMBL650325 0.86 KMT2A (0.57) FNTAFNTBMTNR1AMTNR1BKMT2A
SCHEMBL651258 0.82 FNTA (0.55) FNTAFNTBMTNR1AMTNR1BKMT2A
SCHEMBL652268 0.81 FNTA (0.46) FNTAFNTBMTNR1AMTNR1BKMT2A
SCHEMBL651390 0.80 FNTA (0.49) FNTAFNTBMTNR1AMTNR1BKMT2A
SCHEMBL651621 0.80 FNTA (0.50) FNTAFNTBMTNR1AMTNR1BKMT2A
SCHEMBL650070 0.80 FNTA (0.44) FNTAFNTBMTNR1AMTNR1BKMT2A
SCHEMBL651552 0.80 MTNR1A (0.51) FNTAFNTBMTNR1AMTNR1BHDAC8
SCHEMBL652931 0.79 FNTA (0.51) FNTAFNTBMTNR1AMTNR1BKMT2A
SCHEMBL652635 0.79 ALDH1A1 (0.45) FNTAFNTBMTNR1AMTNR1BKMT2A

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.