SCHEMBL3283259

SCHEMBL3283259

N#Cc1ccc2c(c1)CC(NC(=O)NC1CCCCC1)CN2

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.52
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TSHR P16473 3/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 2/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
HDAC8 Q9BY41 5/20 0.42
EPHX2 P34913 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL3283255 1.00 EPHX1 (0.52) EPHX1NPC1RAB9ATSHRKDM4E
SCHEMBL7246422 0.84 HDAC8 (0.46) NPC1RAB9AHDAC8EPHX2
SCHEMBL3285406 0.82 CXCR1 (0.49) EPHX1RAB9AALDH1A1HDAC8EPHX2
SCHEMBL3285401 0.82 CXCR1 (0.49) EPHX1RAB9AALDH1A1HDAC8EPHX2
SCHEMBL13324572 0.79 HDAC8 (0.42) EPHX1NPC1RAB9AKDM4EALDH1A1
SCHEMBL461147 0.78 EPHX2 (0.65) HDAC8EPHX2
SCHEMBL649770 0.76 HDAC8 (0.44) HDAC8EPHX2
SCHEMBL5820197 0.76 HDAC8 (0.44) HDAC8EPHX2
SCHEMBL651197 0.76 HDAC8 (0.44) HDAC8EPHX2
SCHEMBL3285577 0.76 HDAC8 (0.44) HDAC8EPHX2

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 3 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
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 EPHX1 622/4885NPC1 342/4885RAB9A 992/4885
US-20060160850-A1 Bicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 EPHX1 985/4885NPC1 552/4885RAB9A 1262/4885

“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.