SCHEMBL3098301

SCHEMBL3098301

Clc1ccc(N2C=CCO2)cn1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
CHRNB4 P30926 8/20 0.42
CHRNA3 P32297 8/20 0.42
AKR1C3 P42330 1/20 0.41
CHRNB2 P17787 9/20 0.41
CHRNA4 P43681 9/20 0.41

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
SCHEMBL29998481 0.67 CHRNB4 (0.61) POLBCHRNB4CHRNA3AKR1C3CHRNB2
SCHEMBL27594106 0.64 CHRNB4 (0.58) POLBCHRNB4CHRNA3AKR1C3CHRNB2
SCHEMBL27057850 0.64 CHRNB4 (0.58) POLBCHRNB4CHRNA3AKR1C3CHRNB2
SCHEMBL29552004 0.64 AKR1C3 (0.70) POLBCHRNB4CHRNA3AKR1C3CHRNB2
SCHEMBL5198623 0.64 AKR1C3 (0.70) POLBCHRNB4CHRNA3AKR1C3CHRNB2
SCHEMBL7976910 0.63 CA2 (0.47) POLB
SCHEMBL7186276 0.63 CHRNB4 (0.56) POLBCHRNB4CHRNA3AKR1C3CHRNB2
SCHEMBL29932734 0.63 CHRNB4 (0.56) POLBCHRNB4CHRNA3AKR1C3CHRNB2
SCHEMBL1982257 0.62 CHRNB4 (0.54) POLBCHRNB4CHRNA3AKR1C3CHRNB2
SCHEMBL28898321 0.62 CHRNB4 (0.46) POLBCHRNB4CHRNA3CHRNB2CHRNA4

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-20100234419-A1 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2010-09-16 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-20100234419-A1 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS KCNQ1, KCNQ2, KCNQ3 POLB 4667/4885CHRNB4 422/4885CHRNA3 163/4885

“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.