SCHEMBL908337

SCHEMBL908337

CC1CN(c2ncc(CC#N)cc2Cl)CCN1c1cc(-c2ccc(F)c(Cl)c2)nc(N2CCCC2C)n1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.37
EGLN2 Q96KS0 1/20 0.36
MAP3K12 Q12852 3/20 0.35
UCHL1 P09936 1/20 0.35
USP30 Q70CQ3 1/20 0.35
SGPL1 O95470 2/20 0.35
CXCR3 P49682 5/20 0.35
SMO Q99835 1/20 0.35

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
SCHEMBL908015 1.00 GRM2 (0.37) GRM2EGLN2MAP3K12UCHL1USP30
SCHEMBL908142 0.93 SYK (0.37) EGLN2MAP3K12SGPL1CXCR3SMO
SCHEMBL908141 0.93 SYK (0.37) EGLN2MAP3K12SGPL1CXCR3SMO
SCHEMBL907911 0.90 MAP3K12 (0.37) GRM2MAP3K12CXCR3
SCHEMBL907912 0.90 MAP3K12 (0.37) GRM2MAP3K12CXCR3
SCHEMBL907914 0.90 MAP3K12 (0.37) GRM2MAP3K12CXCR3
SCHEMBL908241 0.89 GRM2 (0.38) GRM2MAP3K12CXCR3
SCHEMBL908242 0.89 GRM2 (0.38) GRM2MAP3K12CXCR3
SCHEMBL13761575 0.89 MAP3K12 (0.39) MAP3K12
SCHEMBL3881622 0.89 MAP3K12 (0.39) MAP3K12

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 7 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 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-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 GRM2 410/4885EGLN2 474/4885MAP3K12 2358/4885
US-20060122394-A1 Substituted biaryl piperazinyl-pyridine analogues GPR88, PRLHR, GPR68 GRM2 381/4885EGLN2 474/4885MAP3K12 2343/4885

“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.