SCHEMBL3879752

SCHEMBL3879752

C[C@@H]1CN(c2ncccc2Cl)CCN1c1cc(-c2ccc(F)c(Cl)c2)nc(N2CCCCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.48
MALT1 Q9UDY8 1/20 0.39
HSD11B1 P28845 1/20 0.36
GALR2 O43603 1/20 0.36
GALR1 P47211 1/20 0.36
MAP3K12 Q12852 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
SCHEMBL3879608 0.99 TRPV1 (0.49) TRPV1MALT1HSD11B1GALR2GALR1
SCHEMBL3878601 0.99 TRPV1 (0.49) TRPV1MALT1HSD11B1GALR2GALR1
SCHEMBL3881330 0.95 TRPV1 (0.48) TRPV1HSD11B1GALR2GALR1MAP3K12
SCHEMBL3884072 0.94 TRPV1 (0.49) TRPV1MALT1HSD11B1
SCHEMBL3887544 0.94 TRPV1 (0.49) TRPV1MALT1HSD11B1
SCHEMBL3879767 0.93 TRPV1 (0.49) TRPV1HSD11B1GALR2GALR1
SCHEMBL3888987 0.92 TRPV1 (0.47) TRPV1MALT1
SCHEMBL3879476 0.92 TRPV1 (0.47) TRPV1MALT1
SCHEMBL14613863 0.92 TRPV1 (0.47) TRPV1HSD11B1MAP3K12
SCHEMBL3881042 0.92 TRPV1 (0.50) TRPV1HSD11B1GALR2GALR1

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 244/4885MALT1 1393/4885HSD11B1 3915/4885

“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.