SCHEMBL6253280

SCHEMBL6253280

ClCCCOc1cncc(Br)c1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.43
CHRNA4 P43681 4/20 0.43
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL19668758 0.90 CHRNB2 (0.46) CHRNB2CHRNA4NPC1RAB9A
SCHEMBL17841557 0.85 CHRNB2 (0.44) CHRNB2CHRNA4NPC1RAB9A
SCHEMBL31393027 0.83 CYP11B1 (0.45) CHRNB2CHRNA4
SCHEMBL7924171 0.83 MAPT (0.47) CHRNB2CHRNA4
SCHEMBL4940273 0.83 CHRNB2 (0.43) CHRNB2CHRNA4NPC1RAB9A
SCHEMBL17841473 0.82 CHRNB2 (0.46) CHRNB2CHRNA4NPC1RAB9A
SCHEMBL1557490 0.81 GGPS1 (0.49) CHRNB2CHRNA4NPC1RAB9A
SCHEMBL21465056 0.81 CHRNB2 (0.48) CHRNB2CHRNA4NPC1RAB9A
SCHEMBL219260 0.81 CYP11B1 (0.43) CHRNB2CHRNA4NPC1RAB9A
SCHEMBL1621537 0.81 AKT1 (0.51) CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171127-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATIVES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION TARGACEPT INC (US) 2005-09-14 EP disclosed
US-6627648-B1 Relevant nicotinic receptor subtypes to any significant degree. central nervous system disorders, are treated by administering to a patient in need thereof amine derivatives TARGACEPT, INC. 2003-09-30 US disclosed
US-6489349-B1 TREATING AN AUTOIMMUNE DISORDER WITH AN ALKYLAMINE SUBSTITUTED PYRIDINE TARGACEPT, INC. 2002-12-03 US disclosed
US-6441007-B1 TREATING CENTRAL NERVOUS SYSTEM DISORDERS WITH PYRIDYLOXYLALKYLAMINES AND PHENOXYALKYLAMINES TARGACEPT, INC. 2002-08-27 US disclosed
US-6441006-B2 NERVOUS SYSTEM DISORDERS TARGACEPT, INC. 2002-08-27 US disclosed
EP-1185513-A2 ARYL SUBSTITUTED ALKYLAMINES CAPABLE OF ACTIVATING NICOTINIC CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2002-03-13 EP disclosed
EP-1171127-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATIVES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION Targacept, Inc. (US) 2002-01-16 EP disclosed
US-20010031771-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. 2001-10-18 US disclosed
US-20010014691-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. 2001-08-16 US disclosed
EP-1068186-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Targacept, Inc. (US) 2001-01-17 EP disclosed
US-6166048-A Pharmaceutical compositions for inhibition of cytokine production and secretion TARGACEPT, INC. (US) 2000-12-26 US disclosed
WO-2000071520-A2 ARYL SUBSTITUTED ALKYLAMINES CAPABLE OF ACTIVATING NICOTINIC CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2000-11-30 WO disclosed
WO-2000062767-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION TARGACEPT, INC. (US) 2000-10-26 WO disclosed
WO-1999051216-A2 3-PYRIDYLOXYALKYLAMINE OR ARYLOXYALKYLAMINE DERIVATIVES AS CHOLINERGIC AGONISTS R.J. REYNOLDS TOBACCO COMPANY (US) 1999-10-14 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 (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-20010031771-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE PNMT, TPMT, HTR7 CHRNB2 98/4885CHRNA4 32/4885NPC1 688/4885
US-20010014691-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE PNMT, HNMT, CHRM3 CHRNB2 32/4885CHRNA4 34/4885NPC1 460/4885

“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.