SCHEMBL155128

SCHEMBL155128

CCCCN1CCN(c2ccccc2)CC1

nearest known ligand 0.87

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.79
DRD2 P14416 4/20 0.79
KCNH2 Q12809 2/20 0.76
CYP2D6 P10635 1/20 0.69
CHRNA7 P36544 1/20 0.67
DRD3 P35462 3/20 0.63
HTR1A P08908 3/20 0.63
HTR2A P28223 1/20 0.63
HRH1 P35367 1/20 0.63
TMEM97 Q5BJF2 1/20 0.63
KDM4E B2RXH2 1/20 0.61
GAA P10253 1/20 0.61

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
SCHEMBL7594226 0.95 KCNH2 (0.79) SIGMAR1DRD2KCNH2CYP2D6CHRNA7
SCHEMBL27695348 0.93 KCNH2 (0.83) SIGMAR1DRD2KCNH2CYP2D6CHRNA7
SCHEMBL15920946 0.93 KCNH2 (0.83) SIGMAR1DRD2KCNH2CYP2D6CHRNA7
SCHEMBL7126924 0.90 SIGMAR1 (0.65) SIGMAR1DRD2KCNH2CYP2D6CHRNA7
SCHEMBL27822324 0.89 SIGMAR1 (0.64) SIGMAR1DRD2KCNH2CYP2D6CHRNA7
SCHEMBL3453669 0.89 DRD2 (1.00) SIGMAR1DRD2KCNH2CYP2D6CHRNA7
SCHEMBL15690402 0.89 KCNH2 (0.70) SIGMAR1DRD2KCNH2CYP2D6CHRNA7
SCHEMBL5988317 0.88 KCNH2 (0.88) SIGMAR1DRD2KCNH2CYP2D6CHRNA7
SCHEMBL4528457 0.86 KCNH2 (1.00) SIGMAR1DRD2KCNH2CYP2D6DRD3
SCHEMBL9041083 0.84 KCNH2 (0.80) SIGMAR1DRD2KCNH2CYP2D6CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021046438-A1 REGENERATING FUNCTIONS AND PHENOTYPES OF CONNECTIVE TISSUE THROUGH NPAS2 SUPPRESSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-03-11 WO disclosed
CN-107226796-B A kind of method that visible light catalytic piperazine compounds are selectively cyanalation 陕西师范大学 2019-08-20 CN disclosed
EP-2791142-B1 COMPOUNDS AND METHODS FOR THE PREVENTION AND TREATMENT OF TUMOR METASTASIS AND TUMORIGENESIS US HEALTH (US) 2019-07-03 EP disclosed
WO-2018140630-A1 AUTOPHAGY INDUCERS FOR TREATMENT OF CNS CONDITIONS NORTHWESTERN UNIVERSITY (US) 2018-08-02 WO disclosed
CN-107226796-A A kind of visible light catalytic piperazine compounds selectively cyanalation method 陕西师范大学 2017-10-03 CN disclosed
US-20170260192-A1 COMPOUNDS AND METHODS FOR THE PREVENTION AND TREATMENT OF TUMOR METASTASIS AND TUMORIGENESIS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT OF HEALTH AND HUMAN SERVICES (US) 2017-09-14 US disclosed
US-9663521-B2 Compounds and methods for the prevention and treatment of tumor metastasis and tumorigenesis THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-05-30 US disclosed
US-20140323438-A1 COMPOUNDS AND METHODS FOR THE PREVENTION AND TREATMENT OF TUMOR METASTASIS AND TUMORIGENESIS NORTHWESTERN UNIVERSITY 2014-10-30 US disclosed
WO-2013090912-A1 COMPOUNDS AND METHODS FOR THE PREVENTION AND TREATMENT OF TUMOR METASTASIS AND TUMORIGENESIS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-06-20 WO disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
US-20070197546-A1 QUINOLINE-4-CARBOXAMIDE AS NK-2 AND NK-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM SPA, ITALY 2007-08-23 US disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
US-6991902-B2 Nucleobase heterocyclic combinatorialization ISIS PHARMACEUTICALS, INC. (US) 2006-01-31 US disclosed
US-6893815-B1 Nucleobase heterocyclic combinatorialization ISIS PHARMACEUTICALS, INC. (US) 2005-05-17 US disclosed
US-20030003505-A1 Nucleobase heterocyclic combinatorialization ISIS PHARMACEUTICALS, INC. 2003-01-02 US disclosed
US-20020009748-A1 NUCLEOBASE HETEROCYCLIC COMBINATORIALIZATION ISIS PHARMACEUTICALS, INC. 2002-01-24 US disclosed
EP-1075469-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 2001-02-14 EP disclosed
WO-2000052001-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-09-08 WO disclosed
WO-1999000669-A1 NUCLEOBASE HETEROCYCLIC COMBINATORIALIZATION ISIS PHARMACEUTICALS, INC. (US) 1999-01-07 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 (6 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-20140323438-A1 COMPOUNDS AND METHODS FOR THE PREVENTION AND TREATMENT OF TUMOR METASTASIS AND TUMORIGENESIS PGF, BRCA1, RB1 SIGMAR1 2349/4885DRD2 3948/4885KCNH2 4364/4885
US-20170260192-A1 COMPOUNDS AND METHODS FOR THE PREVENTION AND TREATMENT OF TUMOR METASTASIS AND TUMORIGENESIS PGF, BRCA1, RB1 SIGMAR1 2349/4885DRD2 3948/4885KCNH2 4364/4885
US-20020009748-A1 NUCLEOBASE HETEROCYCLIC COMBINATORIALIZATION PNP, ATIC, DPYD SIGMAR1 2307/4885DRD2 835/4885KCNH2 3340/4885
US-20030003505-A1 Nucleobase heterocyclic combinatorialization PNP, ATIC, DPYD SIGMAR1 2307/4885DRD2 835/4885KCNH2 3340/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 SIGMAR1 2364/4885DRD2 947/4885KCNH2 3445/4885
US-20070197546-A1 QUINOLINE-4-CARBOXAMIDE AS NK-2 AND NK-3 RECEPTOR ANTAGONISTS KCNH2, KCNH3, KCNJ2 SIGMAR1 350/4885DRD2 176/4885KCNH2 1/4885

“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.