SCHEMBL3314252

SCHEMBL3314252

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

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.70
HSD17B10 Q99714 1/20 0.70
GRM5 P41594 2/20 0.60
ALDH1A1 P00352 3/20 0.54
POLB P06746 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MGLL Q99685 2/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 2/20 0.54
HPGD P15428 1/20 0.52
PROKR1 Q8TCW9 2/20 0.51
RAB9A P51151 1/20 0.51
HSD11B1 P28845 1/20 0.51
PHGDH O43175 1/20 0.50

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
SCHEMBL3314246 1.00 GLA (0.70) GLAHSD17B10GRM5ALDH1A1POLB
SCHEMBL14275540 0.91 HSD17B10 (0.61) GLAHSD17B10GRM5ALDH1A1POLB
SCHEMBL4223562 0.91 HSD17B10 (0.61) GLAHSD17B10GRM5ALDH1A1POLB
SCHEMBL3314080 0.85 ALDH1A1 (0.54) GLAHSD17B10ALDH1A1KMT2AHPGD
SCHEMBL3314069 0.85 ALDH1A1 (0.54) GLAHSD17B10ALDH1A1KMT2AHPGD
SCHEMBL3314775 0.84 HPGD (0.59) GLAHSD17B10ALDH1A1POLBL3MBTL1
SCHEMBL3314769 0.84 HPGD (0.59) GLAHSD17B10ALDH1A1POLBL3MBTL1
SCHEMBL27970474 0.84 HPGD (0.59) GLAHSD17B10ALDH1A1POLBL3MBTL1
Hydrochloric Acid SCHEMBL30708065 0.83 HPGD (0.57) GLAHSD17B10ALDH1A1POLBL3MBTL1
SCHEMBL3315877 0.82 GLA (1.00) GLAHSD17B10GRM5ALDH1A1POLB

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.