SCHEMBL908919

SCHEMBL908919

Cc1cc(C#N)cnc1N1CCN(c2cc(-c3ccc(F)cc3)nc(N3CCC[C@H]3C)n2)[C@H](C)C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.45
DGAT1 O75907 1/20 0.39
PIK3CD O00329 2/20 0.38
SYK P43405 1/20 0.38
PIK3R1 P27986 1/20 0.38
SMO Q99835 4/20 0.38
MAP3K12 Q12852 3/20 0.37
SGPL1 O95470 5/20 0.37
ACACB O00763 2/20 0.37
ACACA Q13085 1/20 0.37
KIT P10721 1/20 0.36

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
SCHEMBL908017 1.00 EGLN2 (0.45) EGLN2DGAT1PIK3CDSYKPIK3R1
SCHEMBL908018 1.00 EGLN2 (0.45) EGLN2DGAT1PIK3CDSYKPIK3R1
SCHEMBL908060 0.92 EGLN2 (0.41) EGLN2SYKMAP3K12KIT
SCHEMBL908036 0.91 EGLN2 (0.44) EGLN2PIK3CDSYKPIK3R1SMO
SCHEMBL908038 0.91 EGLN2 (0.44) EGLN2PIK3CDSYKPIK3R1SMO
SCHEMBL907689 0.88 SYK (0.39) EGLN2DGAT1SYKSMOMAP3K12
SCHEMBL907690 0.88 SYK (0.39) EGLN2DGAT1SYKSMOMAP3K12
SCHEMBL907870 0.88 SYK (0.39) EGLN2DGAT1SYKSMOMAP3K12
SCHEMBL12903235 0.85 SYK (0.38) DGAT1SYKSMOMAP3K12ACACB
SCHEMBL908341 0.85 CHRM1 (0.40) SYKSMOMAP3K12ACACBACACA

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 disclosed
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-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 474/4885DGAT1 4648/4885PIK3CD 1491/4885
US-20060122394-A1 Substituted biaryl piperazinyl-pyridine analogues GPR88, PRLHR, GPR68 EGLN2 474/4885DGAT1 4643/4885PIK3CD 1510/4885

“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.