SCHEMBL269455

SCHEMBL269455

O=C(NC1CCCNC1)c1cccc2occc12

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.50
PBK Q96KB5 4/20 0.49
PARP1 P09874 1/20 0.48
CHEK1 O14757 11/20 0.47
CDK2AP1 O14519 7/20 0.47
MAOB P27338 1/20 0.46
CHRNA1 P02708 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA4 P43681 1/20 0.45
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44

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
SCHEMBL270577 1.00 EED (0.50) EEDPBKPARP1CHEK1CDK2AP1
SCHEMBL7259989 0.81 EED (0.60) EEDCHRNA1CHRNB2CHRNB4CHRNA4
Hydrochloric Acid SCHEMBL7243486 0.81 EED (0.59) EEDCHEK1CHRNA1CHRNB2CHRNB4
SCHEMBL5654175 0.75 CHEK1 (0.60) PBKPARP1CHEK1CDK2AP1CCNA2
SCHEMBL7673369 0.75 CHEK1 (0.56) PBKPARP1CHEK1CDK2AP1
SCHEMBL31227213 0.75 CHEK1 (0.60) PBKPARP1CHEK1CDK2AP1CCNA2
SCHEMBL1278937 0.75 NPC1 (0.69) PBKPARP1CHEK1CDK2AP1
SCHEMBL1278935 0.75 NPC1 (0.69) PBKPARP1CHEK1CDK2AP1
SCHEMBL1674869 0.75 NPC1 (0.69) PBKPARP1CHEK1CDK2AP1
SCHEMBL29392153 0.75 CHEK1 (0.56) PBKPARP1CHEK1CDK2AP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133901-B2 3-heteroaryl (amino or amido)-1-(biphenyl or phenylthiazolyl) carbonylpiperidine derivatives as orexin receptor inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-13 US disclosed
EP-2094685-B1 3-HETEROARYL (AMINO OR AMIDO)-1- (BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERDINE DERIVATIVES AS OREXIN RECEPTOR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2011-01-19 EP disclosed
US-20100069418-A1 3-HETEROARYL (AMINO OR AMIDO)-1-(BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERIDINE DERIVATIVES AS OREXIN RECEPTOR INHIBITORS ACTELION PHARMACEUTICALS LTD. (CH) 2010-03-18 US disclosed
EP-2094685-A2 3-HETEROARYL (AMINO OR AMIDO)-1- (BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERDINE DERIVATIVES AS OREXIN RECEPTOR INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2009-09-02 EP disclosed
WO-2008065626-A2 3-HETEROARYL (AMINO OR AMIDO)-1- (BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERIDINE DERIVATIVESAS OREXIN RECEPTOR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2008-06-05 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-20100069418-A1 3-HETEROARYL (AMINO OR AMIDO)-1-(BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERIDINE DERIVATIVES AS OREXIN RECEPTOR INHIBITORS HCRTR1, HCRTR2, NPY1R EED 3228/4885PBK 4331/4885PARP1 2657/4885

“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.