SCHEMBL650325

SCHEMBL650325

Cn1cnc(S(=O)(=O)NC2Cc3cc(Cl)ccc3N(Cc3ccccc3)C2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
FNTA P49354 3/20 0.48
FNTB P49356 3/20 0.48
CACNA1G O43497 1/20 0.48
CACNA1H O95180 1/20 0.48
CACNA1I Q9P0X4 1/20 0.48
LMNA P02545 1/20 0.46
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A9 P48067 4/20 0.40
CCR2 P41597 1/20 0.40
IRS1 P35568 1/20 0.40
GAB1 Q13480 1/20 0.40
FBP1 P09467 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.39

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
SCHEMBL651806 0.87 KMT2A (0.53) KMT2AFNTAFNTBCACNA1GCACNA1H
SCHEMBL649684 0.86 FNTA (0.47) KMT2AFNTAFNTBCACNA1GCACNA1H
SCHEMBL651258 0.82 FNTA (0.55) KMT2AFNTAFNTBMTNR1AMTNR1B
SCHEMBL651390 0.81 FNTA (0.49) KMT2AFNTAFNTBMTNR1AMTNR1B
SCHEMBL16792036 0.81 FNTA (0.61) KMT2AFNTAFNTB
SCHEMBL651552 0.80 MTNR1A (0.51) FNTAFNTBCACNA1GCACNA1HCACNA1I
SCHEMBL652268 0.80 FNTA (0.46) KMT2AFNTAFNTBLMNAMTNR1A
SCHEMBL652931 0.79 FNTA (0.51) KMT2AFNTAFNTBMTNR1AMTNR1B
SCHEMBL650070 0.79 FNTA (0.44) KMT2AFNTAFNTBLMNAMTNR1A
SCHEMBL651621 0.79 FNTA (0.50) KMT2AFNTAFNTBLMNAMTNR1A

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 KMT2A 690/4885FNTA 1368/4885FNTB 2071/4885
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators CNR2, CNR1, OPRL1 KMT2A 690/4885FNTA 1368/4885FNTB 2071/4885
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 KMT2A 690/4885FNTA 1368/4885FNTB 2071/4885

“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.