SCHEMBL90572

SCHEMBL90572

CN1CCNC(c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.45
GSK3B P49841 2/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RPS6KB1 P23443 1/20 0.41
SLC6A2 P23975 4/20 0.40
SLC6A3 Q01959 4/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A4 P31645 3/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
PRCP P42785 1/20 0.38
MAPK1 P28482 1/20 0.38
THPO P40225 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL2908444 1.00 PDE10A (0.45) PDE10AGSK3BKDM4EALDH1A1RPS6KB1
SCHEMBL2910280 1.00 PDE10A (0.45) PDE10AGSK3BKDM4EALDH1A1RPS6KB1
Hydrochloric Acid SCHEMBL10626673 0.98 GSK3B (0.45) PDE10AGSK3BKDM4EALDH1A1RPS6KB1
Hydrochloric Acid SCHEMBL27510131 0.98 GSK3B (0.45) PDE10AGSK3BKDM4EALDH1A1RPS6KB1
Oxalic Acid SCHEMBL4354000 0.92 RPS6KB1 (0.45) PDE10AGSK3BRPS6KB1SLC6A2SLC6A3
Oxalic Acid SCHEMBL4354003 0.92 RPS6KB1 (0.45) PDE10AGSK3BRPS6KB1SLC6A2SLC6A3
SCHEMBL7409899 0.89 PDE10A (0.41) PDE10AGSK3BSLC6A2SLC6A3ADRA1A
Diethylamine SCHEMBL28752379 0.88 GSK3B (0.40) PDE10AGSK3BRPS6KB1SLC6A2SLC6A3
SCHEMBL27765904 0.84 SLC6A2 (0.46) PDE10AGSK3BRPS6KB1SLC6A2SLC6A3
SCHEMBL2913625 0.84 SLC6A2 (0.40) PDE10AGSK3BKDM4EALDH1A1RPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118652237-A Preparation method of environment-friendly and safe 1- (3-cyanopyridine-2) -2-phenyl-4-methylpiperazine 兰西哈三联制药有限公司 2024-09-17 CN claimed
CN-108299387-B Method for preparing mirtazapine impurity K 心邀(深圳)生物科技有限公司 2020-11-17 CN claimed
US-10253006-B2 Assay for the detection of the phenylpiperazine family RANDOX LABORATORIES LIMITED (GB) 2019-04-09 US claimed
CN-108299387-A A method of preparing Mirtazapine impurity K 心邀(深圳)生物科技有限公司 2018-07-20 CN claimed
CN-107266447-A A kind of preparation method of Mirtazapine 江西永通科技股份有限公司 2017-10-20 CN claimed
US-20160229824-A1 ASSAY FOR THE DETECTION OF THE PHENYLPIPERAZINE FAMILY NORTHERN BANK LIMITED (IE) 2016-08-11 US claimed
CN-103588715-A Synthetic method for 1-methyl-3-phenylpiperazine TAICANG YUNTONG BIOCHEMICAL ENGINEERING CO LTD 2014-02-19 CN claimed
CN-102432594-B Method for preparing 1-(3-hydroxymethylpyridine-2-yl)-2-phenyl-4-methyl piperazine serving as medicinal intermediate SHANDONG LUYAO PHARMACEUTICAL CO LTD 2013-09-11 CN claimed
CN-102649779-A Synthesis method for medicine intermediate 1-methyl-3-phenylpiperazine SHANDONG LUYAO PHARMACEUTICAL CO LTD 2012-08-29 CN claimed
EP-2038260-B1 STEREOSELECTIVE SYNTHESIS OF (S)-1-METHYL-3-PHENYLPIPERAZINE ORGANON NV (NL) 2010-09-01 EP claimed
WO-2004106309-A1 A PROCESS FOR PREPARING 1-METHYL-3-PHENYLPIPERAZINE AUROBINDO PHARMA LTD (IN) 2004-12-09 WO claimed
US-20040242879-A1 Process for preparing 1-methyl-3-phenylpiperazine using a novel intermediate AUROBINTO PHARMA LTD (IN) 2004-12-02 US claimed
US-20040236107-A1 Intermediate compounds for the preparation of mirtazapine and the production methods thereof MEDICHEM, S.A. (ES) 2004-11-25 US claimed
EP-1426356-A1 INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF MIRTAZAPINE AND THE PRODUCTION METHODS THEREOF Medichem S.A. (ES) 2004-06-09 EP claimed
US-6603003-B2 Reacting ester with substituted or unsubstituted ethylenediamine to give 3,4-dehydropiperazine-2-one and reacting 3,4-dehydropiperazine-2-one with reducing agent to yield piperazine derivative SUN PHARMACEUTICAL INDUSTRIES LTD (IN) 2003-08-05 US claimed
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 claimed
WO-2002090339-A1 A PROCESS FOR PREPARING 1-METHYL-3-PHENYL-PIPERAZINE NEULAND LABORATORIES LIMITED (IN) 2002-11-14 WO claimed
US-20020095038-A1 Novel method for the preparation of piperazine and its derivatives SUN PHARMACEUTICAL INDUSTRIES LTD (IN) 2002-07-18 US claimed
WO-2002038552-A1 A NOVEL METHOD FOR THE PREPARATION OF PIPERAZINE AND ITS DERIVATIVES SUN PHARMACEUTICAL INDUSTRIES LTD. (IN) 2002-05-16 WO claimed
EP-1136470-A1 PROCESS FOR THE PREPARATION OF A PIPERAZINE DERIVATIVE SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2001-09-26 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20040236107-A1 Intermediate compounds for the preparation of mirtazapine and the production methods thereof IMPDH1, MRM1, IMPDH2 PDE10A 1006/4885GSK3B 2215/4885KDM4E 2908/4885
US-20040242879-A1 Process for preparing 1-methyl-3-phenylpiperazine using a novel intermediate CYP4Z1, HTR5A, CYP3A5 PDE10A 1913/4885GSK3B 1605/4885KDM4E 121/4885
US-20020095038-A1 Novel method for the preparation of piperazine and its derivatives DHPS, DRD4, CYP2E1 PDE10A 3204/4885GSK3B 4694/4885KDM4E 525/4885
US-10253006-B2 Assay for the detection of the phenylpiperazine family METAP2, DCPS, NPEPPS PDE10A 1702/4885GSK3B 4872/4885KDM4E 2686/4885
US-20160229824-A1 ASSAY FOR THE DETECTION OF THE PHENYLPIPERAZINE FAMILY METAP2, DCPS, NPEPPS PDE10A 1702/4885GSK3B 4872/4885KDM4E 2686/4885

“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.