SCHEMBL1758868

SCHEMBL1758868

O=C(Nc1cccnc1)N1CCNCC1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.66
TRPV1 Q8NER1 1/20 0.56
FAAH O00519 5/20 0.54
HTR2C P28335 3/20 0.53
GRIN2B Q13224 3/20 0.53
MKNK1 Q9BUB5 1/20 0.52
MKNK2 Q9HBH9 1/20 0.52
CYP2D6 P10635 2/20 0.51
CYP1A2 P05177 1/20 0.51
NPC1 O15118 1/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 1/20 0.50
PDGFRB P09619 1/20 0.49
HTR2A P28223 2/20 0.49
LMNA P02545 1/20 0.49
HIF1A Q16665 1/20 0.49
PI4KB Q9UBF8 1/20 0.48

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
SCHEMBL30791537 1.00 POLB (0.66) POLBTRPV1FAAHHTR2CGRIN2B
Hydrochloric Acid SCHEMBL2194067 0.99 POLB (0.68) POLBTRPV1FAAHHTR2CGRIN2B
Trifluoroacetic Acid SCHEMBL7670169 0.91 POLB (0.59) POLBTRPV1FAAHHTR2CGRIN2B
SCHEMBL15529643 0.86 TRPV1 (0.60) TRPV1FAAHHTR2CGRIN2BNPC1
Pyridine SCHEMBL28096189 0.85 POLB (0.80) POLBFAAHCYP2D6CYP1A2
SCHEMBL1960679 0.85 TRPV1 (0.58) POLBTRPV1FAAHHTR2CGRIN2B
Hydrochloric Acid SCHEMBL2197351 0.84 TRPV1 (0.57) POLBTRPV1FAAHHTR2CGRIN2B
SCHEMBL3768246 0.84 TRPV1 (0.60) TRPV1FAAHHTR2CGRIN2BCYP2D6
SCHEMBL7670700 0.81 POLB (0.69) POLBTRPV1FAAHCYP2D6CYP1A2
SCHEMBL6304805 0.81 HTR2C (0.70) TRPV1FAAHHTR2CGRIN2BNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116514790-A Tri-aromatic heterocyclic piperazine small molecular organic compound targeting STAT3 and application thereof 华东师范大学 2023-08-01 CN claimed
EP-2906221-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF Southern Research Institute (US) 2015-08-19 EP claimed
WO-2014059265-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2014-04-17 WO claimed
CN-116514790-A Tri-aromatic heterocyclic piperazine small molecular organic compound targeting STAT3 and application thereof 华东师范大学 2023-08-01 CN disclosed
US-20120225097-A1 PIPERAZINECARBOXAMIDE DERIVATIVE USEFUL AS A MODULATOR OF FATTY ACID AMIDE HYDROLASE (FAAH) JANSSEN PHARMACEUTICA NV (BE) 2012-09-06 US disclosed
US-20120225097-A1 PIPERAZINECARBOXAMIDE DERIVATIVE USEFUL AS A MODULATOR OF FATTY ACID AMIDE HYDROLASE (FAAH) JANSSEN PHARMACEUTICA NV (BE) 2012-09-06 US disclosed
US-20120225097-A1 PIPERAZINECARBOXAMIDE DERIVATIVE USEFUL AS A MODULATOR OF FATTY ACID AMIDE HYDROLASE (FAAH) JANSSEN PHARMACEUTICA NV (BE) 2012-09-06 US disclosed
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 US disclosed
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 US disclosed
WO-2011060026-A1 PIPERAZINECARBOXAMIDE DERIVATIVE USEFUL AS A MODULATOR OF FATTY ACID AMIDE HYDROLASE (FAAH) JANSEN PHARMACEUTICA NV (BE) 2011-05-19 WO disclosed
WO-2011060026-A1 PIPERAZINECARBOXAMIDE DERIVATIVE USEFUL AS A MODULATOR OF FATTY ACID AMIDE HYDROLASE (FAAH) JANSEN PHARMACEUTICA NV (BE) 2011-05-19 WO disclosed
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
EP-2065369-A1 UREA COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2009-06-03 EP disclosed
EP-2065369-A1 UREA COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2009-06-03 EP disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
CN-101103007-A Amide compound TAKEDA PHARMACEUTICAL (JP) 2008-01-09 CN disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP disclosed
WO-2007005510-A1 N-HETEROARYLPIPERAZINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-11 WO disclosed
EP-1478437-A1 ACC INHIBITORS Pfizer Products Inc. (US) 2004-11-24 EP disclosed
WO-2003072197-A1 ACC INHIBITORS PFIZER PRODUCTS INC. (US) 2003-09-04 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 POLB 2770/4885TRPV1 87/4885FAAH 1/4885
US-20120225097-A1 PIPERAZINECARBOXAMIDE DERIVATIVE USEFUL AS A MODULATOR OF FATTY ACID AMIDE HYDROLASE (FAAH) FAAH, FAAH2, APEH POLB 2014/4885TRPV1 254/4885FAAH 1/4885
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF FAAH, FAAH2, UTS2R POLB 2205/4885TRPV1 275/4885FAAH 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.