SCHEMBL3320973

SCHEMBL3320973

O=C(NC1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.60
HSD17B10 Q99714 1/20 0.60
GRM5 P41594 1/20 0.58
EPHX2 P34913 1/20 0.56
CHRNA7 P36544 2/20 0.55
KDM5A P29375 1/20 0.54
EPHX1 P07099 1/20 0.53
POLB P06746 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
HTR3A P46098 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51

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
SCHEMBL3317199 1.00 GLA (0.60) GLAHSD17B10GRM5EPHX2CHRNA7
SCHEMBL3320818 0.95 DRD2 (0.56) GLAHSD17B10GRM5EPHX2CHRNA7
SCHEMBL3320822 0.95 DRD2 (0.56) GLAHSD17B10GRM5EPHX2CHRNA7
SCHEMBL3316814 0.95 DRD2 (0.56) GLAHSD17B10GRM5EPHX2CHRNA7
SCHEMBL3316809 0.95 DRD2 (0.56) GLAHSD17B10GRM5EPHX2CHRNA7
SCHEMBL3316668 0.94 GRM5 (0.56) GLAHSD17B10GRM5EPHX2CHRNA7
SCHEMBL3316676 0.94 GRM5 (0.56) GLAHSD17B10GRM5EPHX2CHRNA7
SCHEMBL3316689 0.94 GRM5 (0.56) GLAHSD17B10GRM5EPHX2CHRNA7
SCHEMBL3316682 0.94 GRM5 (0.56) GLAHSD17B10GRM5EPHX2CHRNA7
SCHEMBL21927015 0.91 ALDH1A1 (0.57) GRM5EPHX2KDM5APOLBALDH1A1

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
EP-2123769-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE 3-AMINOPIPERIDINE OR SALT THEREOF KANEKA CORP (JP) 2016-05-18 EP disclosed
US-20150166481-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 3-AMINOPIPERIDINE OR SALT THEREOF KANEKA CORPORATION (JP) 2015-06-18 US disclosed
US-20130079525-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 3-AMINOPIPERIDINE OR SALT THEREOF KANEKA CORPORATION (JP) 2013-03-28 US disclosed
US-8338142-B2 Method for producing optically active 3-aminopiperidine or salt thereof KANEKA CORPORATION (JP) 2012-12-25 US disclosed
US-20100105917-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 3-AMINOPIPERIDINE OR SALT THEREOF KANEKA CORPORATION (JP) 2010-04-29 US disclosed
EP-2123769-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 3-AMINOPIPERIDINE OR SALT THEREOF Kaneka Corporation (JP) 2009-11-25 EP 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 (3 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-20130079525-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 3-AMINOPIPERIDINE OR SALT THEREOF NPEPPS, APEH, DNPEP GLA 2225/4885HSD17B10 883/4885GRM5 1867/4885
US-20100105917-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 3-AMINOPIPERIDINE OR SALT THEREOF NPEPPS, APEH, DNPEP GLA 2225/4885HSD17B10 883/4885GRM5 1867/4885
US-20150166481-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 3-AMINOPIPERIDINE OR SALT THEREOF NPEPPS, APEH, DNPEP GLA 2225/4885HSD17B10 883/4885GRM5 1867/4885

“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.