SCHEMBL907694

SCHEMBL907694

CCCN1CCN(c2nc(-c3ccc(F)c(Cl)c3)cc(N3CCN(c4ncc([N+](=O)[O-])cc4C)CC3)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.40
CASP4 P49662 2/20 0.40
CASP5 P51878 2/20 0.40
HRH4 Q9H3N8 1/20 0.38
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
PTPN11 Q06124 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MCHR1 Q99705 1/20 0.34
AXL P30530 2/20 0.34
RPS6KB1 P23443 3/20 0.34
AKT1 P31749 3/20 0.34
TRPV1 Q8NER1 1/20 0.34
RAB9A P51151 1/20 0.33

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
SCHEMBL908650 0.89 SLC9A1 (0.37) CASP1CASP4CASP5HRH4LMNA
SCHEMBL3880776 0.86 HRH4 (0.39) HRH4PTPN11MCHR1AXLRPS6KB1
SCHEMBL908028 0.83 HRH4 (0.36) HRH4PTPN11MEN1KMT2ATRPV1
SCHEMBL3878799 0.83 DRD4 (0.40) HRH4LMNAMCHR1AXLRPS6KB1
SCHEMBL907899 0.80 MPL (0.42) MEN1KMT2AMCHR1TRPV1
SCHEMBL908229 0.80 MTOR (0.39) HRH4PTPN11AXLRPS6KB1AKT1
SCHEMBL907895 0.80 CETP (0.42) CASP1CASP4CASP5HRH4GAA
SCHEMBL27635865 0.80 TRPV1 (0.35) HRH4PTPN11MEN1KMT2AMCHR1
SCHEMBL907791 0.79 P2RY12 (0.51)
SCHEMBL3876390 0.76 GALR2 (0.46) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786800-B1 1,4-Diarylpiperazine derivatives as capsaicin receptor modulators for treating pain NEUROGEN CORP (US) 2017-01-04 EP claimed
US-8334382-B2 Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2012-12-18 US claimed
US-20110003813-A1 SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION 2011-01-06 US claimed
EP-1786800-B1 1,4-Diarylpiperazine derivatives as capsaicin receptor modulators for treating pain NEUROGEN CORP (US) 2017-01-04 EP disclosed
US-8334382-B2 Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2012-12-18 US disclosed
US-8334382-B2 Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2012-12-18 US disclosed
US-8334382-B2 Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2012-12-18 US disclosed
US-20110003813-A1 SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION 2011-01-06 US disclosed
US-20110003813-A1 SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION 2011-01-06 US disclosed
US-20110003813-A1 SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION 2011-01-06 US disclosed
US-7662830-B2 Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2010-02-16 US disclosed
US-7662830-B2 Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2010-02-16 US disclosed
US-7662830-B2 Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2010-02-16 US disclosed
US-20060122394-A1 Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2006-06-08 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 (2 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-20110003813-A1 SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES GPR88, PIGO, PRLHR CASP1 2658/4885CASP4 3027/4885CASP5 2395/4885
US-20060122394-A1 Substituted biaryl piperazinyl-pyridine analogues GPR88, PRLHR, GPR68 CASP1 2798/4885CASP4 3117/4885CASP5 2499/4885

“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.