SCHEMBL377392

SCHEMBL377392

NC1CCN(c2cccc(F)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.60
VCP P55072 1/20 0.49
C1S P09871 1/20 0.46
SSTR2 P30874 2/20 0.45
MLYCD O95822 2/20 0.45
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
NPY5R Q15761 1/20 0.43
HTR3E A5X5Y0 1/20 0.42
MEN1 O00255 1/20 0.42
HTR3B O95264 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR3A P46098 1/20 0.42

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
SCHEMBL29991273 1.00 BPTF (0.60) BPTFVCPC1SSSTR2MLYCD
Hydrochloric Acid SCHEMBL376509 0.98 BPTF (0.59) BPTFVCPC1SSSTR2MLYCD
SCHEMBL1349683 0.90 BPTF (0.66) BPTFVCPC1SSSTR2MLYCD
SCHEMBL1349684 0.90 BPTF (0.66) BPTFVCPC1SSSTR2MLYCD
SCHEMBL6485626 0.90 BPTF (0.66) BPTFVCPC1SSSTR2MLYCD
SCHEMBL10373948 0.82 BPTF (0.54) BPTFC1SMLYCDMEN1KMT2A
SCHEMBL20699709 0.82 BPTF (0.54) BPTFC1SMLYCDMEN1KMT2A
SCHEMBL22657436 0.82 BPTF (0.56) BPTFC1SMLYCDIDO1TDO2
SCHEMBL13035710 0.82 BPTF (0.56) BPTFC1SMLYCDIDO1TDO2
SCHEMBL5220630 0.81 SSTR2 (0.44) BPTFVCPSSTR2NPY5RHTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083584-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS Sunshine Lake Pharma Co., Ltd. (CN) 2016-10-26 EP disclosed
WO-2015090232-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-06-25 WO disclosed
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
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-8012981-B2 Benzylpiperazine derivatives as motilin receptor agonists GLAXO GROUP LIMITED (GB) 2011-09-06 US disclosed
US-7964602-B2 Biaryl compounds useful as agonists of the Gpr38 receptor GLAXO GROUP LIMITED (GB) 2011-06-21 US disclosed
EP-1960390-B1 BIARYL COMPOUNDS USEFUL AS AGONISTS OF THE GPR38 RECEPTOR GLAXO GROUP LTD (GB) 2010-07-21 EP disclosed
US-20090131453-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-05-21 US disclosed
EP-2029538-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2009-03-04 EP disclosed
US-20090054456-A1 BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2009-02-26 US disclosed
US-20080306083-A1 Biaryl Compounds Useful as Agonists of the Gpr38 Receptor GLAXO GROUP LIMITED 2008-12-11 US disclosed
WO-2007144400-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-12-21 WO disclosed
EP-1556045-A1 4-AMINOPIPERIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS UCB, S.A. (BE) 2005-07-27 EP disclosed
WO-2004030668-A1 4-AMINOPIPERIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS UCB, S.A. (BE) 2004-04-15 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 BPTF 1169/4885VCP 788/4885C1S 4837/4885
US-20090131453-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GPR68, GPR52, GPR88 BPTF 1057/4885VCP 750/4885C1S 4754/4885
US-20130317041-A1 COMPOUNDS GPR68, GPR88, GPR35 BPTF 1110/4885VCP 1023/4885C1S 4350/4885
US-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GPR68, GPR52, GPR88 BPTF 1057/4885VCP 750/4885C1S 4754/4885
US-20080306083-A1 Biaryl Compounds Useful as Agonists of the Gpr38 Receptor GPR88, GPR68, GPBAR1 BPTF 1341/4885VCP 1422/4885C1S 4822/4885

“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.