SCHEMBL3964095

SCHEMBL3964095

NC1CCN(c2ccnc(Cl)n2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.69
HTR3E A5X5Y0 1/20 0.59
MEN1 O00255 1/20 0.59
HTR3B O95264 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
ALOX15 P16050 1/20 0.59
TSHR P16473 1/20 0.59
NFKB1 P19838 1/20 0.59
HTR3A P46098 1/20 0.59
KMT2A Q03164 1/20 0.59
HTR3D Q70Z44 1/20 0.59
HTR3C Q8WXA8 1/20 0.59
HRH4 Q9H3N8 4/20 0.50
TRPV1 Q8NER1 5/20 0.46
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
SORD Q00796 2/20 0.44
PTPN11 Q06124 1/20 0.44

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
Hydrochloric Acid SCHEMBL2276239 0.98 HRH3 (0.67) HRH3HTR3EMEN1HTR3BCYP1A2
SCHEMBL18239364 0.90 HRH4 (0.62) HRH3HTR3EMEN1HTR3BCYP1A2
Hydrochloric Acid SCHEMBL18228437 0.89 HRH4 (0.60) HRH3HTR3EMEN1HTR3BCYP1A2
Trifluoroacetic Acid SCHEMBL3968314 0.87 HRH3 (0.55) HRH3HTR3EMEN1HTR3BCYP1A2
SCHEMBL786734 0.83 OGA (0.51) HRH3HRH4TRPV1SORDOGA
SCHEMBL3408440 0.83 TRPV1 (0.49) HRH3TRPV1SORDPTPN11OGA
SCHEMBL21227865 0.83 HRH4 (0.55) HRH3HTR3EMEN1HTR3BCYP1A2
SCHEMBL7147002 0.83 HRH3 (0.48) HRH3HTR3EMEN1HTR3BCYP1A2
SCHEMBL31205958 0.82 HRH3 (0.46) HRH3HRH4TRPV1SORD
SCHEMBL28828266 0.81 EIF2AK4 (0.53) HRH3HRH4PRKCQ

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451185-B1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2014-08-06 EP claimed
US-6906084-B2 Indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-14 US claimed
JP-2005514365-A 2005-05-19 JP claimed
EP-1451185-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2004-09-01 EP claimed
US-20030199689-A1 New indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-23 US claimed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 WO claimed
CN-110950845-B Formylacetamide azole derivative and application thereof 聊城大学 2023-04-18 CN disclosed
CN-110950845-A Formylacetamide azole derivative and application thereof 聊城大学 2020-04-03 CN 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-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
CN-1283638-C Indole-2-formamide compounds as factor Xa inhibitors AVENTIS PHARMA GMBH (DE) 2006-11-08 CN disclosed
US-6906084-B2 Indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-14 US disclosed
CN-1589270-A Indole-2-formamide compounds as factor Xa inhibitors AVENTIS PHARMA GMBH (DE) 2005-03-02 CN disclosed
US-20050043302-A1 New indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-24 US disclosed
EP-1451185-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2004-09-01 EP disclosed
US-20030199689-A1 New indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-23 US disclosed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 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 (4 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 HRH3 1514/4885HTR3E 2137/4885MEN1 3664/4885
US-20160333002-A1 N, N' SUBSTITUTED PIPERIDINAMINE COMPOUNDS, AND PREPARATION METHOD AND USAGE THEREOF HSP90AB1, HSP90AB2P, HSF1 HRH3 1396/4885HTR3E 2092/4885MEN1 3678/4885
US-20030199689-A1 New indole derivatives as factor Xa inhibitors F5, F12, F2 HRH3 501/4885HTR3E 205/4885MEN1 1167/4885
US-20050043302-A1 New indole derivatives as factor Xa inhibitors F12, F5, F2 HRH3 228/4885HTR3E 389/4885MEN1 1026/4885

“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.