SCHEMBL3669232

SCHEMBL3669232

N#Cc1ccc(NC2CCCC(=O)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
CCR6 P51684 1/20 0.40
DPP4 P27487 2/20 0.40
TRPA1 O75762 1/20 0.39
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PAX8 Q06710 1/20 0.36
ROCK2 O75116 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP19A1 P11511 2/20 0.35

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
SCHEMBL3475103 0.80 CTSK (0.57) EPHX1NPC1RAB9ACTSSCTSK
SCHEMBL15739641 0.80 CTSK (0.54) EPHX1NPC1RAB9ACTSSCTSK
SCHEMBL3668555 0.79 DDB1 (0.42) EPHX1RAB9ALMNAPOLBGAA
SCHEMBL3477124 0.79 CTSK (0.60) EPHX1NPC1RAB9ACTSSCTSK
SCHEMBL12733191 0.76 CCR6 (0.49) EPHX1NPC1RAB9ACTSSCTSK
SCHEMBL16752660 0.76 GAA (0.48) EPHX1NPC1RAB9ACCR6GAA
SCHEMBL16321578 0.75 TRPA1 (0.51) TRPA1
SCHEMBL3663084 0.73 ESR2 (0.46) LMNAMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL4410043 0.72 PDPK1 (0.53) EPHX1CTSSCTSKDPP4
SCHEMBL377685 0.70 CTSS (0.48) EPHX1CTSSCTSKCCR6DPP4

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-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US disclosed
CN-101970394-B Novel cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA AS 2015-05-27 CN disclosed
CN-101970394-A Novel cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA AS 2011-02-09 CN disclosed
US-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-12-16 US disclosed
EP-2234961-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-10-06 EP disclosed
WO-2009065406-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2009-05-28 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 (1 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-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES ARNT, AHR, CYP27A1 EPHX1 320/4885NPC1 190/4885RAB9A 4614/4885

“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.