SCHEMBL3877690

SCHEMBL3877690

C[C@@H]1CN(c2ncccc2Cl)CCN1c1cc(-c2ccc(Cl)c(F)c2)nc(N2CCC[C@H]2C)n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.46
HSD11B1 P28845 1/20 0.38
MAP3K12 Q12852 3/20 0.37
CHRM4 P08173 1/20 0.36
SYK P43405 1/20 0.36
PDPK1 O15530 1/20 0.35
TGFBR1 P36897 1/20 0.35
AURKB Q96GD4 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
SCHEMBL3885655 1.00 TRPV1 (0.46) TRPV1HSD11B1MAP3K12CHRM4SYK
SCHEMBL14583766 1.00 TRPV1 (0.46) TRPV1HSD11B1MAP3K12CHRM4SYK
SCHEMBL3878906 1.00 TRPV1 (0.46) TRPV1HSD11B1MAP3K12CHRM4SYK
SCHEMBL13761509 1.00 TRPV1 (0.46) TRPV1HSD11B1MAP3K12CHRM4SYK
SCHEMBL3877655 1.00 TRPV1 (0.46) TRPV1HSD11B1MAP3K12CHRM4SYK
SCHEMBL3877853 1.00 TRPV1 (0.46) TRPV1HSD11B1MAP3K12CHRM4SYK
SCHEMBL3882335 0.95 TRPV1 (0.47) TRPV1HSD11B1MAP3K12CHRM4SYK
SCHEMBL3880542 0.95 TRPV1 (0.47) TRPV1HSD11B1MAP3K12CHRM4SYK
SCHEMBL3878509 0.95 TRPV1 (0.47) TRPV1HSD11B1MAP3K12CHRM4SYK
SCHEMBL3876192 0.95 TRPV1 (0.47) TRPV1HSD11B1MAP3K12CHRM4SYK

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 6 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
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2007-02-01 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 244/4885HSD11B1 3915/4885MAP3K12 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.