SCHEMBL3104046

SCHEMBL3104046

NC(=O)C1CC(C(=O)O)CCN1c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.41
RIPK1 Q13546 1/20 0.41
GRM1 Q13255 4/20 0.38
ALDH1A1 P00352 2/20 0.38
GRM5 P41594 1/20 0.38
NOTUM Q6P988 1/20 0.38
RECQL P46063 1/20 0.38
THRB P10828 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ELANE P08246 2/20 0.37

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
SCHEMBL29200964 0.81 GRM1 (0.41) MEN1HTTKMT2AKDM4EPOLB
SCHEMBL3100082 0.81 L3MBTL1 (0.44) L3MBTL1KDM4ECYP2C19RIPK1GRM1
SCHEMBL27712657 0.81 NOTUM (0.50) L3MBTL1KDM4ECYP2C19POLBALDH1A1
SCHEMBL21552511 0.81 RIPK1 (0.52) L3MBTL1MEN1HTTKMT2AKDM4E
SCHEMBL10353108 0.80 ELANE (0.49) MEN1HTTKMT2AKDM4EGRM1
SCHEMBL31028552 0.80 ELANE (0.49) MEN1HTTKMT2AKDM4EGRM1
Hydrochloric Acid SCHEMBL29659031 0.79 ELANE (0.48) MEN1HTTKMT2AKDM4EGRM1
SCHEMBL3110158 0.79 L3MBTL1 (0.44) L3MBTL1KDM4ECYP2C19RIPK1GRM1
SCHEMBL3375465 0.77 CDK5 (0.43) L3MBTL1KDM4EGRM1ALDH1A1GRM5
SCHEMBL3904460 0.76 HRH3 (0.39) MEN1HTTKMT2AGRM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 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 (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-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HTR3A, OPRL1, OPRK1 L3MBTL1 4603/4885MEN1 4869/4885HTT 901/4885

“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.