SCHEMBL4345270

SCHEMBL4345270

CN(CCO)C(O)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.47
OPRK1 P41145 3/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
ADRA1A P35348 2/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2A P28223 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
TRPA1 O75762 2/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAOB P27338 6/20 0.41
MAOA P21397 4/20 0.41
CYP1A2 P05177 2/20 0.41
ADRA2A P08913 1/20 0.41
SNCA P37840 1/20 0.41

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
SCHEMBL5501136 0.91 OPRK1 (0.44) SIGMAR1OPRK1ADRA2BADRA2CADRA1A
SCHEMBL10960394 0.81 ADRA2B (0.63) SIGMAR1OPRK1ADRA2BADRA2CADRA1A
SCHEMBL10962781 0.81 TRPA1 (0.42) SIGMAR1SLC6A2SLC6A4SLC6A3TRPA1
SCHEMBL10960654 0.80 SIGMAR1 (0.53) SIGMAR1OPRK1ADRA2BADRA2CADRA1A
SCHEMBL10961165 0.78 SIGMAR1 (0.42) SIGMAR1OPRK1ADRA2BADRA2CADRA1A
SCHEMBL597722 0.78 SLC6A2 (0.48) SIGMAR1OPRK1ADRA2BADRA2CADRA1A
SCHEMBL27544524 0.77 NR4A2 (0.49) SIGMAR1OPRK1ADRA2BADRA2CADRA1A
Hydrochloric Acid SCHEMBL10965588 0.77 SIGMAR1 (0.41) SIGMAR1OPRK1ADRA2BADRA2CADRA1A
SCHEMBL10961664 0.76 NPSR1 (0.46) SIGMAR1OPRK1ADRA2BADRA2CADRA1A
SCHEMBL5463181 0.71 CYP1A2 (0.46) SIGMAR1OPRK1ADRA2BADRA2CADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0053389-B1 PROCESS FOR PREPARING CATIONIC SURFACE ACTIVE AGENTS TOHO CHEMICAL INDUSTRY CO., LTD. (JP) 1985-04-03 EP claimed
EP-0053389-A1 Process for preparing cationic surface active agents TOHO CHEMICAL INDUSTRY CO., LTD. (JP) 1982-06-09 EP claimed
CN-102153620-A Process for producing optically active piperazine compound SUMITOMO CHEMICAL CO 2011-08-17 CN disclosed
CN-102126982-A Process for producing optically active piperazine compound SUMITOMO CHEMICAL CO 2011-07-20 CN disclosed
CN-102126978-A Process for producing optically active piperazine compound SUMITOMO CHEMICAL CO 2011-07-20 CN disclosed
US-20090275749-A1 PRODUCTION METHOD OF OPTICALLY ACTIVE PIPERAZINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-05 US disclosed
CN-101312955-A Process for producing optically active piperazine compound SUMITOMO CHEMICAL CO (JP) 2008-11-26 CN disclosed
EP-1930325-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE PIPERAZINE COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-06-11 EP disclosed
EP-1136470-B1 PROCESS FOR THE PREPARATION OF A PIPERAZINE DERIVATIVE SUMITOMO CHEMICAL CO (JP) 2007-08-22 EP disclosed
US-6495685-B1 COMPRISING REACTING 1-METHYL-3-PHENYLPIPERAZINE WITH 2-CHLORO-3-CYANOPYRIDINE IN AN APROTIC POLAR ORGANIC SOLVENT IN THE PRESENCE OF A BASE AND AN ALKALI METAL HALIDE. THE PIPERAZINE DERIVATIVE AND ITS OXALATE ARE COMPOUNDS AS SUMIKA FINE CHEMICALS CO., LTD. (JP) 2002-12-17 US disclosed
EP-1136470-A1 PROCESS FOR THE PREPARATION OF A PIPERAZINE DERIVATIVE SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2001-09-26 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-20090275749-A1 PRODUCTION METHOD OF OPTICALLY ACTIVE PIPERAZINE COMPOUND CYP51A1, CYP4Z1, CYP4A11 SIGMAR1 1931/4885OPRK1 745/4885ADRA2B 278/4885

“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.