SCHEMBL3880930

SCHEMBL3880930

Cc1cccnc1N1CCN(c2cc(-c3ccc(F)c(F)c3)nc(N3CCCC3C)n2)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.38
DYRK1A Q13627 1/20 0.37
MAP3K12 Q12852 4/20 0.36
KCNH2 Q12809 1/20 0.36
KHK P50053 2/20 0.36
GALR2 O43603 2/20 0.36
GALR1 P47211 2/20 0.36
GRM5 P41594 1/20 0.36
FAAH O00519 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CXCR4 P61073 1/20 0.35
CHRM4 P08173 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
SCHEMBL3878587 0.94 GRM5 (0.41) TRPV1DYRK1AMAP3K12KHKGALR2
SCHEMBL14613908 0.93 MAP3K12 (0.39) TRPV1DYRK1AMAP3K12KHKGALR2
SCHEMBL3877937 0.93 DYRK1A (0.38) TRPV1DYRK1AMAP3K12KCNH2KHK
SCHEMBL3875754 0.92 TRPV1 (0.37) TRPV1DYRK1AMAP3K12KHKCHRM4
SCHEMBL3879480 0.91 SYK (0.42) TRPV1DYRK1AMAP3K12KHKFAAH
SCHEMBL3878207 0.89 GRM5 (0.41) TRPV1DYRK1AMAP3K12KHKGALR2
SCHEMBL3888879 0.89 TRPV1 (0.49) TRPV1MAP3K12KHKGALR2GALR1
SCHEMBL3879062 0.87 TRPV1 (0.43) TRPV1DYRK1AGRM5CHRM4
SCHEMBL13766168 0.87 TRPV1 (0.42) TRPV1DYRK1AMAP3K12KDM4ETSHR
SCHEMBL3889943 0.85 TRPV1 (0.48) TRPV1MAP3K12KHKGALR2GALR1

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 TRPV1 244/4885DYRK1A 2887/4885MAP3K12 2603/4885

“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.