SCHEMBL5820197

SCHEMBL5820197

N#Cc1ccc2c(c1)C[C@H](NC(=O)C(O)c1ccccc1)CN2

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.44
EPHX2 P34913 1/20 0.40
GRM7 Q14831 2/20 0.39
CXCR1 P25024 2/20 0.37
CXCR2 P25025 2/20 0.37
MAPK1 P28482 2/20 0.36
RIPK1 Q13546 1/20 0.35
S1PR3 Q99500 1/20 0.34
MGLL Q99685 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
SCHEMBL649770 1.00 HDAC8 (0.44) HDAC8EPHX2GRM7CXCR1CXCR2
SCHEMBL3285577 1.00 HDAC8 (0.44) HDAC8EPHX2GRM7CXCR1CXCR2
SCHEMBL651197 1.00 HDAC8 (0.44) HDAC8EPHX2GRM7CXCR1CXCR2
SCHEMBL7246422 0.83 HDAC8 (0.46) HDAC8EPHX2MAPK1RIPK1
SCHEMBL2512120 0.83 EPHX2 (0.56) HDAC8EPHX2GRM7MAPK1
SCHEMBL2512118 0.83 EPHX2 (0.56) HDAC8EPHX2GRM7MAPK1
SCHEMBL2512863 0.83 EPHX2 (0.56) HDAC8EPHX2GRM7MAPK1
SCHEMBL13324488 0.81 HDAC8 (0.44) HDAC8EPHX2GRM7MAPK1
SCHEMBL12894154 0.81 HDAC8 (0.44) HDAC8EPHX2GRM7MAPK1
SCHEMBL3285401 0.81 CXCR1 (0.49) HDAC8EPHX2CXCR1CXCR2MAPK1

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 6 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-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-7709647-B2 Tetrahydroquinoline cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-04 US disclosed
US-20080200459-A1 TETRAHYDROQUINOLINE CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-21 US disclosed
WO-2006078697-A1 BICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-27 WO 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 (2 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 HDAC8 2618/4885EPHX2 1569/4885GRM7 108/4885
US-20080200459-A1 TETRAHYDROQUINOLINE CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, GPR18 HDAC8 2230/4885EPHX2 753/4885GRM7 144/4885

“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.