SCHEMBL513577

SCHEMBL513577

Cc1cc(C=C2CCNCC2)on1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.47
CHRNA3 P32297 6/20 0.47
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL7427405 0.82 CHRNB2 (0.45) CHRNB2CHRNA3
SCHEMBL7424304 0.81 CHRNB2 (0.40) CHRNB2CHRNA3
SCHEMBL7421696 0.81 CHRNB2 (0.40) CHRNB2CHRNA3
SCHEMBL7421694 0.81 CHRNB2 (0.40) CHRNB2CHRNA3
Hydrochloric Acid SCHEMBL7426872 0.81 CHRNB2 (0.44) CHRNB2CHRNA3
Hydrochloric Acid SCHEMBL7419320 0.80 CHRNB2 (0.39) CHRNB2CHRNA3
Hydrochloric Acid SCHEMBL7419323 0.80 CHRNB2 (0.39) CHRNB2CHRNA3
SCHEMBL7994340 0.78 CHRNB2 (0.49) CHRNB2CHRNA3HRH3
SCHEMBL7423822 0.72 CHRNB2 (0.50) CHRNB2CHRNA3
SCHEMBL7423827 0.72 CHRNB2 (0.50) CHRNB2CHRNA3

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-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 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-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 CHRNB2 83/4885CHRNA3 27/4885HRH3 140/4885

“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.