SCHEMBL16854504

SCHEMBL16854504

COc1nccc(N2CCC(NCc3c(Cl)cccc3Cl)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CD274 Q9NZQ7 2/20 0.42
PDCD1LG2 Q9BQ51 1/20 0.42
OGA O60502 2/20 0.39
SMO Q99835 7/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
HRH4 Q9H3N8 2/20 0.38
PTPN11 Q06124 1/20 0.38
KCNH2 Q12809 1/20 0.38
MCHR1 Q99705 1/20 0.38
PDCD1 Q15116 1/20 0.38
TSHR P16473 1/20 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
SCHEMBL16854545 0.90 GLA (0.44) GLAHTTNPSR1CD274PDCD1LG2
SCHEMBL16854413 0.81 CXCR4 (0.37) OGASMOCDK8HRH4PTPN11
SCHEMBL16854416 0.80 TSHR (0.52) OGACCNCCDK8KCNH2MCHR1
SCHEMBL18166832 0.78 HRH4 (0.39) OGAHRH4
SCHEMBL18175703 0.78 PDCD1LG2 (0.40) CD274PDCD1LG2OGACCNCCDK8
SCHEMBL16854503 0.78 MEN1 (0.39) CD274PDCD1LG2OGA
SCHEMBL16854518 0.78 JAK2 (0.42) OGAHRH4KCNH2MCHR1
SCHEMBL16854492 0.77 ALDH1A1 (0.36) HTTNPSR1PTPN11TSHR
SCHEMBL16854533 0.77 ALDH1A1 (0.47) CD274PDCD1LG2OGA
SCHEMBL18175721 0.74 CXCR4 (0.34) OGASMOCDK8HRH4PTPN11

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-3085701-B1 N, N' SUBSTITUTED PIPERIDINAMINE COMPOUNDS, AND PREPARATION METHOD AND USAGE THEREOF INST PHARMACOLOGY & TOXICOLOGY ACADEMY MILITARY MEDICAL SCIENCES PLA CHINA (CN) 2019-02-20 EP claimed
US-10023565-B2 N,N′ substituted piperidinamine compounds, and preparation method and usage thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2018-07-17 US claimed
US-20160333002-A1 N, N' SUBSTITUTED PIPERIDINAMINE COMPOUNDS, AND PREPARATION METHOD AND USAGE THEREOF INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2016-11-17 US claimed
EP-3085701-A1 N, N' SUBSTITUTED PIPERIDINAMINE COMPOUNDS, AND PREPARATION METHOD AND USAGE THEREOF Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China (CN) 2016-10-26 EP claimed
CN-105829304-A N, n substituted piperidinamine compounds, and preparation method and usage thereof 中国人民解放军军事医学科学院毒物药物研究所 2016-08-03 CN claimed
EP-3085701-B1 N, N' SUBSTITUTED PIPERIDINAMINE COMPOUNDS, AND PREPARATION METHOD AND USAGE THEREOF INST PHARMACOLOGY & TOXICOLOGY ACADEMY MILITARY MEDICAL SCIENCES PLA CHINA (CN) 2019-02-20 EP disclosed
EP-3085701-B1 N, N' SUBSTITUTED PIPERIDINAMINE COMPOUNDS, AND PREPARATION METHOD AND USAGE THEREOF INST PHARMACOLOGY & TOXICOLOGY ACADEMY MILITARY MEDICAL SCIENCES PLA CHINA (CN) 2019-02-20 EP disclosed
US-10023565-B2 N,N′ substituted piperidinamine compounds, and preparation method and usage thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2018-07-17 US disclosed
US-10023565-B2 N,N′ substituted piperidinamine compounds, and preparation method and usage thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2018-07-17 US disclosed
US-10023565-B2 N,N′ substituted piperidinamine compounds, and preparation method and usage thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2018-07-17 US disclosed
US-20160333002-A1 N, N' SUBSTITUTED PIPERIDINAMINE COMPOUNDS, AND PREPARATION METHOD AND USAGE THEREOF INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2016-11-17 US disclosed
US-20160333002-A1 N, N' SUBSTITUTED PIPERIDINAMINE COMPOUNDS, AND PREPARATION METHOD AND USAGE THEREOF INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2016-11-17 US disclosed
US-20160333002-A1 N, N' SUBSTITUTED PIPERIDINAMINE COMPOUNDS, AND PREPARATION METHOD AND USAGE THEREOF INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2016-11-17 US disclosed
EP-3085701-A1 N, N' SUBSTITUTED PIPERIDINAMINE COMPOUNDS, AND PREPARATION METHOD AND USAGE THEREOF Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China (CN) 2016-10-26 EP disclosed
CN-105829304-A N, n substituted piperidinamine compounds, and preparation method and usage thereof 中国人民解放军军事医学科学院毒物药物研究所 2016-08-03 CN disclosed
WO-2015090226-A1 N, N' SUBSTITUTED PIPERIDINAMINE COMPOUNDS, AND PREPARATION METHOD AND USAGE THEREOF 中国人民解放军军事医学科学院毒物药物研究所 2015-06-25 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 (2 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-10023565-B2 N,N′ substituted piperidinamine compounds, and preparation method and usage thereof HSP90AB1, HSP90AB2P, HSF1 GLA 4679/4885HTT 31/4885NPSR1 106/4885
US-20160333002-A1 N, N' SUBSTITUTED PIPERIDINAMINE COMPOUNDS, AND PREPARATION METHOD AND USAGE THEREOF HSP90AB1, HSP90AB2P, HSF1 GLA 4679/4885HTT 31/4885NPSR1 100/4885

“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.