SCHEMBL653223

SCHEMBL653223

N#Cc1ccc2c(c1)CC(NS(=O)(=O)N1CCOCC1)CN2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.41
ICAM1 P05362 1/20 0.38
HDAC8 Q9BY41 5/20 0.36
CXCR2 P25025 1/20 0.36
HTR2A P28223 2/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
PIK3CA P42336 1/20 0.35
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
USP30 Q70CQ3 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
ALK Q9UM73 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL12920289 0.89 HDAC8 (0.37) ICAM1HDAC8HTR2AHTR2CHTR2B
SCHEMBL650709 0.89 HDAC8 (0.37) ICAM1HDAC8HTR2AHTR2CHTR2B
SCHEMBL12894280 0.81 HDAC8 (0.38) ICAM1HDAC8HTR2ADRD2DRD3
SCHEMBL651669 0.80 HDAC8 (0.51) HDAC8USP30FNTAFNTB
SCHEMBL652946 0.80 HDAC8 (0.51) HDAC8USP30FNTAFNTB
SCHEMBL650319 0.80 HDAC8 (0.51) HDAC8USP30FNTAFNTB
SCHEMBL7246422 0.73 HDAC8 (0.46) HDAC8HTR2AHTR2CHTR2B
SCHEMBL7669877 0.73 FNTA (0.43) FNTAFNTBSMN1; SMN2
SCHEMBL7246206 0.71 SLC6A4 (0.46) DRD2DRD3
SCHEMBL7246202 0.71 SLC6A4 (0.46) DRD2DRD3

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 disclosed
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-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-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 ALB 4797/4885ICAM1 3936/4885HDAC8 2618/4885
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators CNR2, CNR1, OPRL1 ALB 4797/4885ICAM1 3936/4885HDAC8 2618/4885
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 ALB 4797/4885ICAM1 3936/4885HDAC8 2618/4885

“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.