SCHEMBL908159

SCHEMBL908159

Cc1cc(C(N)=O)cnc1N1CCN(c2cc(-c3ccncc3)nc(N3CCCC3C)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 10/20 0.42
PRKD2 Q9BZL6 10/20 0.42
ADRB1 P08588 1/20 0.41
SYK P43405 4/20 0.40
LATS1 O95835 1/20 0.40
GBA1 P04062 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP3K12 Q12852 1/20 0.38
KHK P50053 2/20 0.38

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
SCHEMBL908118 0.92 LATS1 (0.40) SYKLATS1GBA1MAP3K12KHK
SCHEMBL908509 0.92 SYK (0.42) PRKD1PRKD2SYKGBA1MAP3K12
SCHEMBL908260 0.91 SYK (0.40) PRKD1PRKD2SYKMAP3K12KHK
SCHEMBL908293 0.89 PRKD1 (0.43) PRKD1PRKD2ADRB1SYKPRKD3
SCHEMBL908348 0.89 P2RY12 (0.38) LATS1KHK
SCHEMBL908072 0.88 SYK (0.42) PRKD1PRKD2ADRB1SYKGBA1
SCHEMBL908496 0.85 SYK (0.41) SYKGBA1MAP3K12KHK
SCHEMBL908043 0.84 LATS1 (0.41) SYKLATS1MAP3K12KHK
SCHEMBL907725 0.84 SYK (0.42) SYKMAP3K12KHK
SCHEMBL908275 0.84 SYK (0.40) SYKLATS1MAP3K12KHK

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 18 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
EP-1786800-A4 SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORP (US) 2009-05-06 EP claimed
EP-1786800-A2 SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION (US) 2007-05-23 EP claimed
US-20060122394-A1 Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2006-06-08 US claimed
WO-2006026135-A2 SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION (US) 2006-03-09 WO 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 PRKD1 3655/4885PRKD2 2207/4885ADRB1 114/4885
US-20060122394-A1 Substituted biaryl piperazinyl-pyridine analogues GPR88, PRLHR, GPR68 PRKD1 3634/4885PRKD2 2157/4885ADRB1 108/4885

“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.