SCHEMBL908141

SCHEMBL908141

CC1CN(c2ncc(CC#N)cc2Cl)CCN1c1cc(-c2ccc(F)cc2)nc(N2CCCC2C)n1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.37
EGLN2 Q96KS0 1/20 0.36
MAP3K12 Q12852 3/20 0.36
PIK3CD O00329 1/20 0.35
PIK3R1 P27986 1/20 0.35
SMO Q99835 2/20 0.35
CXCR3 P49682 3/20 0.35
SGPL1 O95470 2/20 0.34

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
SCHEMBL908142 1.00 SYK (0.37) SYKEGLN2MAP3K12PIK3CDPIK3R1
SCHEMBL908337 0.93 GRM2 (0.37) EGLN2MAP3K12SMOCXCR3SGPL1
SCHEMBL908015 0.93 GRM2 (0.37) EGLN2MAP3K12SMOCXCR3SGPL1
SCHEMBL907814 0.93 MAP3K12 (0.37) SYKEGLN2MAP3K12CXCR3
SCHEMBL908056 0.90 SYK (0.38) SYKMAP3K12SMO
SCHEMBL908055 0.90 SYK (0.38) SYKMAP3K12SMO
SCHEMBL908953 0.90 SYK (0.38) SYKMAP3K12SMO
SCHEMBL908036 0.89 EGLN2 (0.44) SYKEGLN2MAP3K12PIK3CDPIK3R1
SCHEMBL908038 0.89 EGLN2 (0.44) SYKEGLN2MAP3K12PIK3CDPIK3R1
SCHEMBL907937 0.87 KHK (0.41) SYKMAP3K12SMOCXCR3

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 9 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-20110003813-A1 SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION 2011-01-06 US claimed
US-7662830-B2 Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2010-02-16 US claimed
US-20060122394-A1 Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2006-06-08 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-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 SYK 2213/4885EGLN2 474/4885MAP3K12 2358/4885
US-20060122394-A1 Substituted biaryl piperazinyl-pyridine analogues GPR88, PRLHR, GPR68 SYK 2295/4885EGLN2 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.