SCHEMBL30820824

SCHEMBL30820824

CN1CCC1COc1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 5/20 0.86
CHRNB2 P17787 5/20 0.86
CHRNB4 P30926 4/20 0.86
CHRNA4 P43681 4/20 0.86
CHRNB1 P11230 3/20 0.86
CHRNB3 Q05901 3/20 0.86
CHRNA1 P02708 1/20 0.86
CHRNA7 P36544 1/20 0.86
DAPK3 O43293 1/20 0.60
ROCK2 O75116 1/20 0.60
PRKCG P05129 1/20 0.60
PIM1 P11309 1/20 0.60
RPS6KB1 P23443 1/20 0.60
AKT1 P31749 1/20 0.60
LIMK1 P53667 1/20 0.60
CDK5 Q00535 1/20 0.60
PRKCD Q05655 1/20 0.60
PAK1 Q13153 1/20 0.60
STK3 Q13188 1/20 0.60
ROCK1 Q13464 1/20 0.60

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
SCHEMBL7368701 1.00 CHRNA3 (0.86) CHRNA3CHRNB2CHRNB4CHRNA4CHRNB1
SCHEMBL13424978 1.00 CHRNA3 (0.86) CHRNA3CHRNB2CHRNB4CHRNA4CHRNB1
SCHEMBL905202 1.00 CHRNA3 (0.86) CHRNA3CHRNB2CHRNB4CHRNA4CHRNB1
Hydrochloric Acid SCHEMBL7839188 0.99 CHRNB2 (0.84) CHRNA3CHRNB2CHRNB4CHRNA4CHRNB1
Hydrochloric Acid SCHEMBL7455769 0.99 CHRNB2 (0.84) CHRNA3CHRNB2CHRNB4CHRNA4CHRNB1
Hydrochloric Acid SCHEMBL7415807 0.99 CHRNB2 (0.84) CHRNA3CHRNB2CHRNB4CHRNA4CHRNB1
SCHEMBL29484629 0.93 CHRNB2 (1.00) CHRNA3CHRNB2CHRNB4CHRNA4CHRNB1
SCHEMBL7372710 0.93 CHRNB2 (1.00) CHRNA3CHRNB2CHRNB4CHRNA4CHRNB1
SCHEMBL12214039 0.93 CHRNB2 (1.00) CHRNA3CHRNB2CHRNB4CHRNA4CHRNB1
SCHEMBL676032 0.93 CHRNB2 (1.00) CHRNA3CHRNB2CHRNB4CHRNA4CHRNB1

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-20240092791-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-03-21 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-20240092791-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO-KINASE INHIBITORS ROCK1, ROCK2, RHOA CHRNA3 1805/4885CHRNB2 1864/4885CHRNB4 2030/4885

“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.