SCHEMBL10527232

SCHEMBL10527232

COC(c1ccccc1)N1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
SLC6A4 P31645 13/20 0.51
SLC6A2 P23975 12/20 0.51
KCNH2 Q12809 6/20 0.51
OPRD1 P41143 5/20 0.51
SLC6A3 Q01959 4/20 0.51
CYP2D6 P10635 4/20 0.51
HTR7 P34969 1/20 0.51
CYP3A4 P08684 3/20 0.46
CACNA1F O60840 2/20 0.46
CACNA1D Q01668 2/20 0.46
CACNA1S Q13698 2/20 0.46
CACNA1C Q13936 2/20 0.46

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 SCHEMBL27476871 0.98 MEN1 (0.58) MEN1KMT2ASLC6A4SLC6A2KCNH2
SCHEMBL20536090 0.87 CYP2D6 (0.54) MEN1KMT2ASLC6A4SLC6A2KCNH2
SCHEMBL4392254 0.79 CYP2D6 (0.45) MEN1KMT2AKCNH2OPRD1SLC6A3
SCHEMBL27484196 0.78 MEN1 (0.54) MEN1KMT2ASLC6A4SLC6A2KCNH2
SCHEMBL19974184 0.78 MEN1 (0.54) MEN1KMT2ASLC6A4SLC6A2KCNH2
SCHEMBL28041845 0.77 CYP2D6 (0.40) MEN1KMT2AKCNH2OPRD1SLC6A3
SCHEMBL28816744 0.76 MEN1 (0.51) MEN1KMT2ASLC6A4SLC6A2OPRD1
SCHEMBL42790 0.76 CYP2D6 (0.73) MEN1KMT2ASLC6A4SLC6A2KCNH2
SCHEMBL3956861 0.76 CYP2D6 (0.73) MEN1KMT2ASLC6A4SLC6A2KCNH2
SCHEMBL3950480 0.76 CYP2D6 (0.73) MEN1KMT2ASLC6A4SLC6A2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103204862-B 6-phenylimidazol[2, 1-b]thiazole-3-amide derivative, its preparation method and application UNIV TSINGHUA GRADUATE SCHOOL 2014-12-17 CN claimed
CN-103204862-A 6-phenylimidazol[2, 1-b]thiazole-3-amide derivative, its preparation method and application UNIV TSINGHUA GRADUATE SCHOOL 2013-07-17 CN claimed
CN-103204824-A 2-aminothiazole-4-amide derivative, its preparation method and application UNIV TSINGHUA GRADUATE SCHOOL 2013-07-17 CN claimed
EP-3094332-A1 CARBONYL ERASTIN ANALOGS AND THEIR USE The Trustees of Columbia University in the City of New York (US) 2016-11-23 EP disclosed
US-9249115-B2 N,N1 substituted piperazines having combined antiaggregant, anticoagulant and vasodilatory activity, and method for producing same VERTEX CLOSED JOINT STOCK COMPANY (RU) 2016-02-02 US disclosed
WO-2015109009-A1 CARBONYL ERASTIN ANALOGS AND THEIR USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-07-23 WO disclosed
CN-103204824-B 2-aminothiazole-4-amide derivative, its preparation method and application UNIV TSINGHUA GRADUATE SCHOOL 2015-04-08 CN disclosed
CN-103204862-B 6-phenylimidazol[2, 1-b]thiazole-3-amide derivative, its preparation method and application UNIV TSINGHUA GRADUATE SCHOOL 2014-12-17 CN disclosed
CN-102796037-B 3-(4-(4-substituted-piperazino)-1-butyryl)indolyl-5-formonitrile and application thereof CHENGDU WANDONG PAHRMACEUTICAL CO LTD 2013-11-06 CN disclosed
US-20130267707-A1 N,N+hu 1 +l SUBSTITUTED PIPERAZINES HAVING COMBINED ANTIAGGREGANT, ANTICOAGULANT AND VASODILATORY ACTIVITY, AND METHOD FOR PRODUCING SAME ZAKRYTOE AKTSIONERNOE OBSCHSHESTVO "VERTEX" (RU) 2013-10-10 US disclosed
CN-103204862-A 6-phenylimidazol[2, 1-b]thiazole-3-amide derivative, its preparation method and application UNIV TSINGHUA GRADUATE SCHOOL 2013-07-17 CN disclosed
CN-101619056-A Benzothiophene alkanol piperazine derivatives and use thereof as antidepressant medicaments ZHONGQI PHARMACEUTICAL TECHNOLOGY SHIJIAZHUANG CO LTD 2010-01-06 CN disclosed
CN-101490017-A Therapeutic piperazines as PDE4 inhibitors HELICON THERAPEUTICS INC (US) 2009-07-22 CN disclosed
CN-1172919-C Alkyl alcohol piperazine derivative and its application in preparing medicine for treating depression 上海医药工业研究院 2004-10-27 CN disclosed
CN-1384102-A Alkyl alcohol piperazine derivative and its application in preparing medicine for treating depression SHANGHAI INST OF MEDICINAL IND (CN) 2002-12-11 CN disclosed
EP-0144991-B1 POLYMETHOXYBENZYL PIPERAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1989-03-29 EP disclosed
EP-0144991-B1 POLYMETHOXYBENZYL PIPERAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1989-03-29 EP disclosed
US-4574156-A Polymethoxybenzyl piperazine derivatives effective for improving blood circulation system WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1986-03-04 US disclosed
EP-0144991-A2 Polymethoxybenzyl piperazine derivatives, processes for their preparation and pharmaceutical compositions containing said derivatives WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1985-06-19 EP disclosed
EP-0144991-A2 Polymethoxybenzyl piperazine derivatives, processes for their preparation and pharmaceutical compositions containing said derivatives WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1985-06-19 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 (1 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-20130267707-A1 N,N+hu 1 +l SUBSTITUTED PIPERAZINES HAVING COMBINED ANTIAGGREGANT, ANTICOAGULANT AND VASODILATORY ACTIVITY, AND METHOD FOR PRODUCING SAME HCN1, HCN3, HCN2 MEN1 879/4885KMT2A 2019/4885SLC6A4 2895/4885

“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.