SCHEMBL7575005

SCHEMBL7575005

CNCCCOc1cncc(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.49
CHRNA4 P43681 2/20 0.49
HTR1B P28222 1/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
CDC7 O00311 1/20 0.42
ROCK2 O75116 1/20 0.42
MAP4K4 O95819 1/20 0.42
PIM1 P11309 1/20 0.42
PRKACA P17612 1/20 0.42
CDK2 P24941 1/20 0.42
GSK3B P49841 1/20 0.42
HIPK2 Q9H2X6 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42

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 0.84 CHRNB2 (0.46) CHRNB2CHRNA4NPC1RAB9AROCK2
SCHEMBL7103830 0.81 CHRNB2 (0.50) CHRNB2CHRNA4HTR1BCDC7ROCK2
SCHEMBL23954102 0.81 NPC1 (0.44) NPC1RAB9ALMNACYP1A2CYP3A4
SCHEMBL7924171 0.81 MAPT (0.47) CHRNB2CHRNA4LMNACYP1A2CYP3A4
SCHEMBL31393027 0.81 CYP11B1 (0.45) CHRNB2CHRNA4ROCK2MAP4K4PIM1
SCHEMBL21968171 0.81 NPC1 (0.45) CHRNB2CHRNA4NPC1RAB9ALMNA
SCHEMBL7102503 0.80 CHRNB2 (0.59) CHRNB2CHRNA4HTR1BCDC7ROCK2
SCHEMBL21465056 0.79 CHRNB2 (0.48) CHRNB2CHRNA4NPC1RAB9ALMNA
SCHEMBL1557490 0.79 GGPS1 (0.49) CHRNB2CHRNA4NPC1RAB9ACYP3A4
SCHEMBL17841557 0.79 CHRNB2 (0.44) CHRNB2CHRNA4NPC1RAB9AROCK2

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
US-6441007-B1 TREATING CENTRAL NERVOUS SYSTEM DISORDERS WITH PYRIDYLOXYLALKYLAMINES AND PHENOXYALKYLAMINES TARGACEPT, INC. 2002-08-27 US claimed
EP-1068186-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Targacept, Inc. (US) 2001-01-17 EP claimed
WO-1999051216-A2 3-PYRIDYLOXYALKYLAMINE OR ARYLOXYALKYLAMINE DERIVATIVES AS CHOLINERGIC AGONISTS R.J. REYNOLDS TOBACCO COMPANY (US) 1999-10-14 WO claimed
US-6441007-B1 TREATING CENTRAL NERVOUS SYSTEM DISORDERS WITH PYRIDYLOXYLALKYLAMINES AND PHENOXYALKYLAMINES TARGACEPT, INC. 2002-08-27 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
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
EP-1068186-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Targacept, Inc. (US) 2001-01-17 EP disclosed
WO-2000071520-A2 ARYL SUBSTITUTED ALKYLAMINES CAPABLE OF ACTIVATING NICOTINIC CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2000-11-30 WO disclosed
WO-1999051216-A3 3-PYRIDYLOXYALKYLAMINE OR ARYLOXYALKYLAMINE DERIVATIVES AS CHOLINERGIC AGONISTS REYNOLDS TOBACCO CO R (US) 1999-11-18 WO disclosed
WO-1999051216-A2 3-PYRIDYLOXYALKYLAMINE OR ARYLOXYALKYLAMINE DERIVATIVES AS CHOLINERGIC AGONISTS R.J. REYNOLDS TOBACCO COMPANY (US) 1999-10-14 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 (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-20010014691-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE PNMT, HNMT, CHRM3 CHRNB2 32/4885CHRNA4 34/4885HTR1B 45/4885

“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.