SCHEMBL377499

SCHEMBL377499

N#Cc1cccc(NC2CCNCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
CTSL P07711 5/20 0.49
CTSB P07858 5/20 0.49
CTSS P25774 5/20 0.49
CTSK P43235 5/20 0.49
MLNR O43193 2/20 0.46
CYP3A4 P08684 1/20 0.46
KMT2A Q03164 2/20 0.45
DRD2 P14416 3/20 0.44
DRD3 P35462 2/20 0.44
KCNA5 P22460 1/20 0.44
TSHR P16473 1/20 0.44
HTR6 P50406 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
HTR1A P08908 1/20 0.43
HTR2A P28223 1/20 0.43

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
Hydrochloric Acid SCHEMBL70796 0.98 CYP1A2 (0.50) CYP1A2CYP2C19HSD17B10CLK4CTSL
Hydrochloric Acid SCHEMBL382110 0.98 CYP1A2 (0.50) CYP1A2CYP2C19HSD17B10CLK4CTSL
SCHEMBL21460253 0.91 DRD2 (0.49) CYP1A2CYP2C19HSD17B10CLK4CTSL
SCHEMBL5478814 0.87 KMT2A (0.50) CTSLCTSSCTSKMLNRCYP3A4
SCHEMBL18855742 0.87 KMT2A (0.54) CTSLCTSSCTSKKMT2ADRD2
SCHEMBL3474592 0.85 TSHR (0.55) CTSLCTSSCTSKKMT2ATSHR
SCHEMBL3128888 0.83 KMT2A (0.44) CYP1A2CYP2C19HSD17B10CLK4MLNR
SCHEMBL14492926 0.80 POLB (0.49) MLNRCYP3A4KMT2ADRD2DRD3
SCHEMBL377685 0.80 CTSS (0.48) CYP1A2CYP2C19HSD17B10CLK4CTSL
SCHEMBL4069931 0.78 DDB1 (0.48) CTSLCTSBCTSSCTSKKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 US disclosed
EP-2408742-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2014-09-03 EP 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
CN-101258143-B Benzylpiperazine derivatives and their medical use GLAXO GROUP LTD 2012-12-26 CN 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-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-20080312209-A1 Piperazine Heteroaryl Derivatives as Gpr38 Agonists GLAXO GROUP LIMITED 2008-12-18 US disclosed
CN-101258143-A Benzylpiperazine derivatives and their medical use GLAXO GROUP LTD (GB) 2008-09-03 CN 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-2007144400-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-12-21 WO disclosed
WO-2007144400-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-12-21 WO 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 (3 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 CYP1A2 299/4885CYP2C19 527/4885HSD17B10 1399/4885
US-20080312209-A1 Piperazine Heteroaryl Derivatives as Gpr38 Agonists GPR68, GPR55, GPR88 CYP1A2 634/4885CYP2C19 913/4885HSD17B10 3350/4885
US-20130317041-A1 COMPOUNDS GPR68, GPR88, GPR35 CYP1A2 444/4885CYP2C19 626/4885HSD17B10 1846/4885

“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.