SCHEMBL8303957

SCHEMBL8303957

Clc1cccc(OC[C@@H]2CCCN2)c1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 3/20 0.70
CHRNB4 P30926 1/20 0.70
LTA4H P09960 4/20 0.63

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
Hydrochloric Acid SCHEMBL3161170 0.99 CHRNA3 (0.68) CHRNA3CHRNB4LTA4H
SCHEMBL11466396 0.86 CHRNB4 (0.52) CHRNA3CHRNB4
SCHEMBL3830309 0.82 CHRNB4 (1.00) CHRNA3CHRNB4LTA4H
SCHEMBL10326293 0.82 CHRNB4 (0.70) CHRNA3CHRNB4LTA4H
SCHEMBL10326528 0.82 CHRNB4 (0.70) CHRNA3CHRNB4LTA4H
SCHEMBL9241944 0.82 CHRNB4 (0.70) CHRNA3CHRNB4LTA4H
SCHEMBL10326784 0.82 CHRNB4 (0.70) CHRNA3CHRNB4LTA4H
SCHEMBL4664872 0.82 CHRNB4 (0.70) CHRNA3CHRNB4LTA4H
SCHEMBL9241941 0.82 CHRNB4 (0.70) CHRNA3CHRNB4LTA4H
SCHEMBL11448870 0.82 LMNA (0.50) CHRNA3CHRNB4LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 US disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
US-5972984-A LOW MOLECULAR WEIGHT PEPTIDYL COMPOUNDS THAT DO NOT HAVE A THIOL MOIETY. MERCK & CO., INC. (US) 1999-10-26 US disclosed
EP-0833633-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-03-24 EP disclosed
EP-0833633-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-04-08 EP 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 (2 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-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 CHRNA3 325/4885CHRNB4 570/4885LTA4H 586/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 CHRNA3 325/4885CHRNB4 570/4885LTA4H 586/4885

“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.