SCHEMBL3683389

SCHEMBL3683389

ClCCCN1CCN(c2ccccn2)CC1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.71
POLB P06746 1/20 0.71
DRD2 P14416 7/20 0.63
DRD3 P35462 7/20 0.63
HTR1A P08908 6/20 0.63
HTR2A P28223 4/20 0.63
HTR7 P34969 4/20 0.63
DRD1 P21728 4/20 0.63
ADRA2C P18825 3/20 0.63
DRD5 P21918 3/20 0.63
HRH1 P35367 3/20 0.63
DRD4 P21917 2/20 0.63
SIGMAR1 Q99720 2/20 0.59

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
SCHEMBL30206433 1.00 KCNH2 (0.71) KCNH2POLBDRD2DRD3HTR1A
SCHEMBL102892 0.92 KCNH2 (0.64) KCNH2POLBDRD2DRD3HTR1A
SCHEMBL26108725 0.90 KCNH2 (0.85) KCNH2POLBDRD2DRD3HTR1A
SCHEMBL4519313 0.90 KCNH2 (0.85) KCNH2POLBDRD2DRD3HTR1A
SCHEMBL26107525 0.90 KCNH2 (0.85) KCNH2POLBDRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL26108256 0.89 KCNH2 (0.83) KCNH2POLBDRD2DRD3HTR1A
SCHEMBL13711971 0.88 KCNH2 (0.71) KCNH2POLBDRD2DRD3HTR1A
SCHEMBL1233437 0.86 KCNH2 (0.69) KCNH2POLBDRD2DRD3HTR1A
SCHEMBL18301485 0.86 KCNH2 (0.69) KCNH2POLBDRD2DRD3HTR1A
SCHEMBL5572065 0.86 KCNH2 (0.69) KCNH2POLBDRD2DRD3HTR1A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110511215-B Aryl piperazine/piperidine compound and application thereof 复旦大学 2023-03-28 CN disclosed
EP-1724267-B1 PYRIMIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2013-11-06 EP disclosed
CN-1922171-B Pyrimidine derivative ASKA PHARM CO LTD 2012-10-17 CN disclosed
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US disclosed
EP-0911330-B1 1-(4-Arylpiperazine-1-y1)-3-(2-oxopyrrolidin/piperidin-1-y1) propanes as therapeutic agents for hypertension, ischemia, cardiovascular and other adrenergic receptors related disorders COUNCIL SCIENT IND RES (IN) 2007-12-12 EP disclosed
US-20070197551-A1 Pyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US disclosed
CN-1922171-A Pyrimidine derivatives ASKA PHARM CO LTD (JP) 2007-02-28 CN disclosed
EP-1724267-A1 PYRIMIDINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2006-11-22 EP disclosed
EP-0913397-B1 A proces for the synthesis of 1-(4-Arylpiperazine-1-y1)-3-(2-oxypyrrolidin/piperidin-1-yl)propanes as therapeutic agents for hypertension, ischemia, cardiovascular and other adrenergic receptors related disorders COUNCIL SCIENT IND RES (IN) 2006-07-05 EP disclosed
US-6084097-A BY CONDENSING A PYRIDYL PIPERAZINE OR A SUBSTITUTED PHENYL PIPERAZINE WITH 1-CHLORO-3-(2-OXOPYRROLIDIN-1-YL)PROPANE OR 1-CHLORO-3-(2-OXOPIPERIDIN-1-YL)PROPANE IN THE PRESENCE OF A BASE, A CATALYST AND ORGANIC SOLVENT; ANTIHYPERTENSIVE AGENTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2000-07-04 US disclosed
EP-0913397-A1 A proces for the synthesis of 1-(4-Arylpiperazine-1-y1)-3-(2-oxypyrrolidin/piperidin-1-y1) propanes as therapeutic agents for hypertension, ischemia, cardiovascular and other adrenergic receptors related disorders Council of Scientific and Industrial Research (IN) 1999-05-06 EP disclosed
EP-0911330-A1 1-(4-Arylpiperazine-1-y1)-3-(2-oxopyrrolidin/piperidin-1-y1) propanes as therapeutic agents for hypertension, ischemia, cardiovascular and other adrenergic receptors related disorders Council of Scientific & Industrial Research (IN) 1999-04-28 EP disclosed
EP-0109562-B1 SUCCINIMIDE DERIVATIVES AND THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-09-02 EP disclosed
US-4598078-A N-(substituted piperazinyl) alkylbicyclic succinimide derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-07-01 US disclosed
EP-0109562-A1 Succinimide derivatives and their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-05-30 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-20070197551-A1 Pyrimidine derivatives HTR3B, HTR3A, HTR1A KCNH2 616/4885POLB 2349/4885DRD2 172/4885

“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.