SCHEMBL14613871

SCHEMBL14613871

C[C@@H]1CN(c2ncccc2Cl)CCN1c1cc(-c2cccnc2)nc(N)n1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.49
HSD11B1 P28845 1/20 0.41
HRH4 Q9H3N8 2/20 0.40
HTR3A P46098 1/20 0.40
PIM1 P11309 2/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL13761532 0.91 TRPV1 (0.51) TRPV1HSD11B1PIM1GSK3B
SCHEMBL3880689 0.91 TRPV1 (0.51) TRPV1HSD11B1PIM1GSK3B
SCHEMBL3880267 0.87 TRPV1 (0.48) TRPV1HSD11B1PIM1GSK3B
SCHEMBL3881501 0.86 TRPV1 (0.47) TRPV1HSD11B1PIM1
SCHEMBL13761534 0.86 TRPV1 (0.47) TRPV1HSD11B1PIM1
SCHEMBL3876017 0.79 TRPV1 (0.50) TRPV1HSD11B1
SCHEMBL3890908 0.79 TRPV1 (0.50) TRPV1HSD11B1
SCHEMBL13761519 0.79 TRPV1 (0.50) TRPV1HSD11B1
SCHEMBL3877270 0.77 TRPV1 (0.49) TRPV1
SCHEMBL13761502 0.77 TRPV1 (0.49) TRPV1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3915/4885HRH4 17/4885

“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.