SCHEMBL2344147

SCHEMBL2344147

c1cnnc(C2CCCC[N]2)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.32
KDM5A P29375 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP11B2 P19099 1/20 0.31
GOT1 P17174 1/20 0.31

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
SCHEMBL3663771 0.94 KDM5A (0.32) OPRK1KDM5AGOT1
SCHEMBL449107 0.78 ALDH1A1 (0.44) KDM4E
SCHEMBL3154131 0.76 ALDH1A1 (0.43) KDM4EHSD17B10
SCHEMBL17675448 0.76 CYP11B2 (0.42) OPRK1KDM5AKDM4EHSD17B10CYP11B2
SCHEMBL31119419 0.75 CYP11B2 (0.46) OPRK1KDM5AKDM4ECYP11B2
SCHEMBL277675 0.75 CYP11B2 (0.46) OPRK1KDM5AKDM4ECYP11B2
SCHEMBL1171264 0.72 ALDH1A1 (0.41) OPRK1KDM4E
SCHEMBL7353417 0.71
SCHEMBL16060787 0.71
SCHEMBL29765569 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536283-B1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA LLC (US) 2015-07-29 EP claimed
US-8431575-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, INC. (US) 2013-04-30 US claimed
EP-2536283-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TransTech Pharma, Inc (US) 2012-12-26 EP claimed
US-20110230458-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA, INC. (US) 2011-09-22 US claimed
WO-2011103091-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA, INC. (US) 2011-08-25 WO claimed
US-20180355033-A1 ANTIBODIES, COMPOUNDS AND SCREENS FOR IDENTIFYING AND TREATING CACHEXIA OR PRE-CACHEXIA NATIONAL INSTITUTES OF HEALTH 2018-12-13 US disclosed
WO-2016201319-A1 ANTIBODIES, COMPOUNDS AND SCREENS FOR IDENTIFYING AND TREATING CACHEXIA OR PRE-CACHEXIA The Broad Institute Inc. (US) 2016-12-15 WO disclosed
EP-2536283-B1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA LLC (US) 2015-07-29 EP disclosed
US-9045461-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, LLC (US) 2015-06-02 US disclosed
US-20140206660-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof TRANSTECH PHARMA, LLC (US) 2014-07-24 US disclosed
US-8741900-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, LLC (US) 2014-06-03 US disclosed
US-20130197007-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof TRANSTECH PHARMA, INC. (US) 2013-08-01 US disclosed
US-8431575-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, INC. (US) 2013-04-30 US disclosed
EP-2536283-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TransTech Pharma, Inc (US) 2012-12-26 EP disclosed
US-20110230458-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA, INC. (US) 2011-09-22 US disclosed
WO-2011103091-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA, INC. (US) 2011-08-25 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 (4 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-20140206660-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof AGER, NOD2, GPBAR1 OPRK1 922/4885KDM5A 2015/4885KDM4E 2759/4885
US-20110230458-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF AGER, PSEN2, PSEN1 OPRK1 1287/4885KDM5A 2125/4885KDM4E 2567/4885
US-20130197007-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof AGER, PSEN2, PSEN1 OPRK1 1287/4885KDM5A 2125/4885KDM4E 2567/4885
US-20180355033-A1 ANTIBODIES, COMPOUNDS AND SCREENS FOR IDENTIFYING AND TREATING CACHEXIA OR PRE-CACHEXIA AGER, GCGR, GIPR OPRK1 1991/4885KDM5A 2620/4885KDM4E 2512/4885

“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.