SCHEMBL5803283

SCHEMBL5803283

C1=Cc2ccncc2C[N]1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.39
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNA4 P43681 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
SCHEMBL4624876 0.70 — —
SCHEMBL31550503 0.70 — —
SCHEMBL277412 0.70 — —
Bromide SCHEMBL28518015 0.68 SIGMAR1 (0.40) SIGMAR1CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL28011824 0.68 SIGMAR1 (0.40) SIGMAR1CHRNB2CHRNA4
SCHEMBL30423355 0.68 SIGMAR1 (0.40) SIGMAR1CHRNB2CHRNA4
SCHEMBL72253 0.67 — —
SCHEMBL1950016 0.67 SIGMAR1 (0.43) SIGMAR1CHRNB2CHRNA4
SCHEMBL31281120 0.67 — —
SCHEMBL24592280 0.65 CYP11B2 (0.49) SIGMAR1CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 — — US disclosed
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 — — WO 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-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor VDAC1, TRPV1, HVCN1 SIGMAR1 197/4885CHRNB2 1088/4885CHRNA4 388/4885

“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.

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