SCHEMBL2861129

SCHEMBL2861129

CC(C)(C)C(=O)NCCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
ECE1 P42892 4/20 0.45
PLA2G2A P14555 1/20 0.41
ADRA1A P35348 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
NAALAD2 Q9Y3Q0 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
PRMT1 Q99873 1/20 0.37
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
FFAR3 O14843 1/20 0.36
HDAC3 O15379 1/20 0.36

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
Pivagabine SCHEMBL96152 0.86 POLB (0.53) POLBPLA2G2AADRA1AKDM4EPRMT1
SCHEMBL31457188 0.85 ADRA1A (0.59) POLBPLA2G2AADRA1APRMT1LMNA
SCHEMBL15981919 0.83 ADRA1A (0.62) POLBPLA2G2AADRA1APRMT1KMT2A
SCHEMBL18395427 0.82 POLB (0.44) POLBKDM4EKMT2ADRD2DRD4
SCHEMBL8216883 0.82 ECE1 (0.42) POLBECE1PLA2G2AADRA1ANPSR1
SCHEMBL17669630 0.82 ECE1 (0.42) POLBECE1PLA2G2AADRA1ANPSR1
SCHEMBL18395420 0.82 POLB (0.44) POLBKDM4EKMT2ADRD2DRD4
SCHEMBL16316312 0.82 POLB (0.50) POLBKDM4EKMT2ADRD2DRD4
SCHEMBL25489708 0.81 TSHR (0.50) POLBADRA1ANAALAD2KDM4EPRMT1
SCHEMBL684805 0.81 POLB (0.43) POLBKDM4EKMT2ADRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017522-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2018-07-10 US disclosed
CN-103130745-B Diaryl piperazine compounds and its medical usage 中国人民解放军军事医学科学院毒物药物研究所 2017-03-15 CN disclosed
EP-2888258-A1 HAPTENS OF PALIPERIDONE Janssen Pharmaceutica, N.V. (BE) 2015-07-01 EP disclosed
WO-2014031595-A1 HAPTENS OF PALIPERIDONE JANSSEN PHARMACEUTICA NV (BE) 2014-02-27 WO disclosed
CN-103130745-A Diaryl-piperazines compound and medical application thereof INST PHARM & TOXICOLOGY AMMS 2013-06-05 CN disclosed
US-8278329-B2 Antagonizing N-type calcium channels; use as analgesic, neurodegenerative diseases, brain injury, bronchial asthma, unstable angina and irritable colitis, drug withdrawal symptoms; t-butyl 2-[4-(5H-dibenzo[a,d][7]annulen-5-ylidene)-1-piperidinyl]-2-oxoethylcarbamate for example AJINOMOTO CO., INC. (JP) 2012-10-02 US disclosed
US-20110243859-A1 ENCAPSULATING SYSTEM FOR CEST IMAGING WITH CHELATE Q GREATER THAN OR EQUAL TO 2 GUERBET (FR) 2011-10-06 US disclosed
US-8026368-B2 Hydrazide compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-09-27 US disclosed
US-8026368-B2 Hydrazide compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-09-27 US disclosed
US-7713957-B2 Pharmaceutical composition containing gabapentin or pregabalin and N-type calcium channel antagonist AJINOMOTO CO., INC. (JP) 2010-05-11 US disclosed
US-20090253751-A1 HYDRAZIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-10-08 US disclosed
US-20090253751-A1 HYDRAZIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-10-08 US disclosed
US-7462630-B2 Diarylalkene derivatives and novel diarylalkane derivatives AJINOMOTO CO., INC. (JP) 2008-12-09 US disclosed
US-20080058311-A1 NOVEL DIARYLALKENE DERIVATIVES AND NOVEL DIARYLALKANE DERIVATIVES AJINOMOTO CO., INC. (JP) 2008-03-06 US disclosed
US-20050009814-A1 Pharmaceutical composition containing gabapentin or pregabalin and N-type calcium channel antagonist AJINOMOTO CO., INC. (JP) 2005-01-13 US disclosed
EP-1481673-A1 MEDICINAL COMPOSITIONS CONTAINING GABAPENTIN OR PREGABALIN AND N-TYPE CALCIUM CHANNEL ANTAGONIST Ajinomoto Co., Inc. (JP) 2004-12-01 EP disclosed
US-20040167118-A1 Novel diarylalkene derivatives and novel diarylalkane derivatives AJINOMOTO CO., INC. (JP) 2004-08-26 US 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-20050009814-A1 Pharmaceutical composition containing gabapentin or pregabalin and N-type calcium channel antagonist CACNA1B, CACNA1G, CACNA1C POLB 4239/4885ECE1 3616/4885PLA2G2A 1122/4885
US-20040167118-A1 Novel diarylalkene derivatives and novel diarylalkane derivatives CACNA1E, CACNA1H, CACNA1D POLB 4213/4885ECE1 2393/4885PLA2G2A 2035/4885
US-20090253751-A1 HYDRAZIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR TEK, THPO, PTAFR POLB 3909/4885ECE1 144/4885PLA2G2A 3262/4885
US-20110243859-A1 ENCAPSULATING SYSTEM FOR CEST IMAGING WITH CHELATE Q GREATER THAN OR EQUAL TO 2 QPCT, ESYT2, QPCTL POLB 4250/4885ECE1 1611/4885PLA2G2A 1300/4885
US-20080058311-A1 NOVEL DIARYLALKENE DERIVATIVES AND NOVEL DIARYLALKANE DERIVATIVES CACNA1E, CACNA1D, CACNA1H POLB 4276/4885ECE1 2226/4885PLA2G2A 1629/4885
US-10017522-B2 Alpha helix mimetics and methods relating thereto PLOD3, COL1A1, THPO POLB 2747/4885ECE1 903/4885PLA2G2A 1916/4885

“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.