SCHEMBL377872

SCHEMBL377872

COc1cc(NC2CCNCC2)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.48
TRPC5 Q9UL62 1/20 0.48
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR6 P50406 4/20 0.43
ROCK2 O75116 8/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
AXL P30530 1/20 0.40
TYRO3 Q06418 1/20 0.40
NSD2 O96028 1/20 0.40

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
SCHEMBL377787 0.88 KDM1A (0.45) CYP1A2CYP2C19HTR6ROCK2KDM1A
SCHEMBL13450008 0.84 HRH2 (0.49) HRH2TRPC5ROCK2ALDH1A1GAA
SCHEMBL18970134 0.84 HTR4 (0.45) CYP1A2CYP2C19HTR6ALDH1A1AXL
SCHEMBL1704674 0.82 KDM1A (0.53) HTR6KDM1AMAOB
SCHEMBL12184793 0.77 KDM1A (0.44) HTR6KDM1AMAOB
SCHEMBL381268 0.77 CCNE1 (0.47) CYP1A2CYP2C19HTR6ALDH1A1GAA
SCHEMBL6153679 0.77 HTR4 (0.48) HTR6
SCHEMBL17048125 0.76 KMT2A (0.47) HRH2TRPC5ROCK2HTTKDM1A
SCHEMBL27262102 0.76 HTR6 (0.46) CYP1A2CYP2C19HTR6ALDH1A1KDM1A
Hydrochloric Acid SCHEMBL381336 0.76 CCNE1 (0.46) CYP1A2CYP2C19HTR6ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130317041-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-11-28 US disclosed
US-8536182-B2 Benzylpiperazine derivatives and their medical use GLAXO GROUP LIMITED (GB) 2013-09-17 US disclosed
EP-1907374-B1 Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders GLAXO GROUP LTD (GB) 2012-08-22 EP disclosed
US-8236953-B2 Process for preparing piper azine derivatives GLAXO GROUP LIMITED (GB) 2012-08-07 US disclosed
US-8236953-B2 Process for preparing piper azine derivatives GLAXO GROUP LIMITED (GB) 2012-08-07 US disclosed
US-8236953-B2 Process for preparing piper azine derivatives GLAXO GROUP LIMITED (GB) 2012-08-07 US disclosed
EP-2441763-A1 Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders Glaxo Group Limited (GB) 2012-04-18 EP disclosed
EP-2029538-B1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2012-01-25 EP disclosed
US-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS SEAL JONATHAN THOMAS 2011-11-10 US disclosed
US-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS SEAL JONATHAN THOMAS 2011-11-10 US disclosed
US-8012981-B2 Benzylpiperazine derivatives as motilin receptor agonists GLAXO GROUP LIMITED (GB) 2011-09-06 US disclosed
US-20090131453-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-05-21 US disclosed
US-20090131453-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-05-21 US disclosed
US-20090131453-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-05-21 US disclosed
US-20090054456-A1 BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2009-02-26 US disclosed
US-20080312209-A1 Piperazine Heteroaryl Derivatives as Gpr38 Agonists GLAXO GROUP LIMITED 2008-12-18 US disclosed
EP-1907374-A2 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-09 EP disclosed
EP-1902022-A1 PIPERAZINE HETEROARYL DERIVATES AS GPR38 AGONISTS GLAXO GROUP LIMITED (GB) 2008-03-26 EP disclosed
WO-2007012479-A2 BENZYLPIPERAZINE DERIVATES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2007-02-01 WO disclosed
WO-2007007018-A1 PIPERAZINE HETEROARYL DERIVATES AS GPR38 AGONISTS GLAXO GROUP LIMITED (GB) 2007-01-18 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 (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-20090054456-A1 BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE GPR68, GPR88, GPR55 HRH2 49/4885TRPC5 88/4885CYP1A2 299/4885
US-20080312209-A1 Piperazine Heteroaryl Derivatives as Gpr38 Agonists GPR68, GPR55, GPR88 HRH2 197/4885TRPC5 172/4885CYP1A2 634/4885
US-20090131453-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GPR68, GPR52, GPR88 HRH2 60/4885TRPC5 214/4885CYP1A2 700/4885
US-20130317041-A1 COMPOUNDS GPR68, GPR88, GPR35 HRH2 47/4885TRPC5 85/4885CYP1A2 444/4885
US-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GPR68, GPR52, GPR88 HRH2 60/4885TRPC5 214/4885CYP1A2 700/4885

“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.