SCHEMBL16854533

SCHEMBL16854533

COc1nccc(N2CCC(NCc3ccccc3[N+](=O)[O-])CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
KDM4E B2RXH2 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
ACHE P22303 1/20 0.41
CASP1 P29466 1/20 0.40
CASP4 P49662 1/20 0.40
CASP5 P51878 1/20 0.40
KDM1A O60341 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
PDCD1LG2 Q9BQ51 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
GAA P10253 1/20 0.39
MET P08581 1/20 0.38
OGA O60502 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
SCHEMBL16854414 0.82 NOS3 (0.45) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL18175703 0.80 PDCD1LG2 (0.40) MEN1KMT2APOLBACHEPDCD1LG2
SCHEMBL16854503 0.80 MEN1 (0.39) MEN1KMT2APOLBACHEPDCD1LG2
SCHEMBL16854504 0.77 GLA (0.45) PDCD1LG2CD274OGA
SCHEMBL16854416 0.74 TSHR (0.52) ALDH1A1MEN1KMT2AL3MBTL1ACHE
SCHEMBL16854415 0.74 KMT2A (0.46) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL14487010 0.72 ALDH1A1 (0.59) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL14410258 0.72 ALDH1A1 (0.59) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL16854518 0.72 JAK2 (0.42) MEN1KMT2AOGA
SCHEMBL27750794 0.71 ALDH1A1 (0.60) ALDH1A1KDM4EMEN1KMT2AL3MBTL1

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 17 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
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 ALDH1A1 863/4885KDM4E 4719/4885MEN1 3664/4885
US-20160333002-A1 N, N' SUBSTITUTED PIPERIDINAMINE COMPOUNDS, AND PREPARATION METHOD AND USAGE THEREOF HSP90AB1, HSP90AB2P, HSF1 ALDH1A1 823/4885KDM4E 4724/4885MEN1 3678/4885

“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.