SCHEMBL908036

SCHEMBL908036

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

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.44
CXCR3 P49682 1/20 0.40
SGPL1 O95470 6/20 0.38
PIK3CD O00329 2/20 0.38
SYK P43405 1/20 0.38
PIK3R1 P27986 1/20 0.38
SMO Q99835 4/20 0.37
MAP3K12 Q12852 3/20 0.37

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
SCHEMBL908038 1.00 EGLN2 (0.44) EGLN2CXCR3SGPL1PIK3CDSYK
SCHEMBL908919 0.91 EGLN2 (0.45) EGLN2SGPL1PIK3CDSYKPIK3R1
SCHEMBL908018 0.91 EGLN2 (0.45) EGLN2SGPL1PIK3CDSYKPIK3R1
SCHEMBL908017 0.91 EGLN2 (0.45) EGLN2SGPL1PIK3CDSYKPIK3R1
SCHEMBL908142 0.89 SYK (0.37) EGLN2CXCR3SGPL1PIK3CDSYK
SCHEMBL908141 0.89 SYK (0.37) EGLN2CXCR3SGPL1PIK3CDSYK
SCHEMBL908062 0.88 SYK (0.39) CXCR3SYKSMOMAP3K12
SCHEMBL908063 0.88 SYK (0.39) CXCR3SYKSMOMAP3K12
SCHEMBL3881491 0.87 MAP3K12 (0.38) EGLN2SYKSMOMAP3K12
SCHEMBL908055 0.86 SYK (0.38) SYKSMOMAP3K12

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 5 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-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 EGLN2 474/4885CXCR3 1012/4885SGPL1 3448/4885
US-20060122394-A1 Substituted biaryl piperazinyl-pyridine analogues GPR88, PRLHR, GPR68 EGLN2 474/4885CXCR3 942/4885SGPL1 3473/4885

“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.