SCHEMBL3877937

SCHEMBL3877937

CC1CCCN1c1nc(-c2ccc(F)c(F)c2)cc(N2CCN(c3ncccc3F)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.38
MAP3K12 Q12852 4/20 0.38
TRPV1 Q8NER1 2/20 0.37
KCNH2 Q12809 1/20 0.37
KHK P50053 2/20 0.37
GALR2 O43603 1/20 0.37
GALR1 P47211 1/20 0.37
FAAH O00519 1/20 0.36
CHRM4 P08173 1/20 0.35
SYK P43405 1/20 0.35
GRM1 Q13255 1/20 0.35
TOP1 P11387 1/20 0.35
ALOX5AP P20292 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
SCHEMBL3878207 0.93 GRM5 (0.41) DYRK1AMAP3K12TRPV1KHKGALR2
SCHEMBL3880930 0.93 TRPV1 (0.38) DYRK1AMAP3K12TRPV1KCNH2KHK
SCHEMBL3877154 0.92 GRM1 (0.39) DYRK1AMAP3K12TRPV1KHKCHRM4
SCHEMBL13761538 0.92 GRM1 (0.39) DYRK1AMAP3K12TRPV1KHKCHRM4
SCHEMBL3878956 0.92 MALT1 (0.38) DYRK1AMAP3K12TRPV1KCNH2KHK
SCHEMBL3887559 0.91 SYK (0.43) DYRK1AMAP3K12TRPV1KHKGALR2
SCHEMBL3888879 0.90 TRPV1 (0.49) MAP3K12TRPV1KHKGALR2GALR1
SCHEMBL3878587 0.87 GRM5 (0.41) DYRK1AMAP3K12TRPV1KHKGALR2
SCHEMBL3878041 0.86 MALT1 (0.44) DYRK1AMAP3K12TRPV1CHRM4
SCHEMBL14613908 0.85 MAP3K12 (0.39) DYRK1AMAP3K12TRPV1KHKGALR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2007-02-01 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 (1 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-20070027155-A1 Biaryl piperazinyl-pyridine analogues GPR174, GPR68, PPARG DYRK1A 2887/4885MAP3K12 2603/4885TRPV1 244/4885

“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.