SCHEMBL3285406

SCHEMBL3285406

N#Cc1ccc2c(c1)CC(NC(=O)Nc1ccccc1)CN2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.49
CXCR2 P25025 1/20 0.49
EPHX1 P07099 2/20 0.47
HDAC8 Q9BY41 5/20 0.46
MAPK1 P28482 6/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSC P53634 1/20 0.44
EPHX2 P34913 3/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MALT1 Q9UDY8 1/20 0.43
DPP4 P27487 1/20 0.40

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
SCHEMBL3285401 1.00 CXCR1 (0.49) CXCR1CXCR2EPHX1HDAC8MAPK1
SCHEMBL7246422 0.85 HDAC8 (0.46) HDAC8MAPK1EPHX2RAB9AMALT1
SCHEMBL3283259 0.82 EPHX1 (0.52) EPHX1HDAC8ALDH1A1KMT2AEPHX2
SCHEMBL3283255 0.82 EPHX1 (0.52) EPHX1HDAC8ALDH1A1KMT2AEPHX2
SCHEMBL649770 0.81 HDAC8 (0.44) CXCR1CXCR2HDAC8MAPK1EPHX2
SCHEMBL651197 0.81 HDAC8 (0.44) CXCR1CXCR2HDAC8MAPK1EPHX2
SCHEMBL5820197 0.81 HDAC8 (0.44) CXCR1CXCR2HDAC8MAPK1EPHX2
SCHEMBL3285577 0.81 HDAC8 (0.44) CXCR1CXCR2HDAC8MAPK1EPHX2
SCHEMBL13324569 0.80 HDAC8 (0.46) EPHX1HDAC8MAPK1MEN1ALDH1A1
SCHEMBL461147 0.76 EPHX2 (0.65) HDAC8MAPK1EPHX2MALT1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20060160850-A1 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2006-07-20 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 (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-20080200459-A1 TETRAHYDROQUINOLINE CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, GPR18 CXCR1 776/4885CXCR2 612/4885EPHX1 622/4885
US-20060160850-A1 Bicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 CXCR1 658/4885CXCR2 409/4885EPHX1 985/4885

“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.