SCHEMBL7246559

SCHEMBL7246559

CCC(C)C(C)(N)Oc1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.42
CHRNA4 P43681 6/20 0.42
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CNR1 P21554 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35

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
SCHEMBL7099252 0.76 CHRNB2 (0.45) CHRNB2CHRNA4LMNATDP1
SCHEMBL23934132 0.74 CHRNB2 (0.44) CHRNB2CHRNA4LMNATDP1CNR1
SCHEMBL29583666 0.73 LMNA (0.50) CHRNB2CHRNA4LMNATDP1
SCHEMBL2732089 0.73 LMNA (0.50) CHRNB2CHRNA4LMNATDP1
SCHEMBL27983764 0.71 CHRNB2 (0.50) CHRNB2CHRNA4LMNATDP1
SCHEMBL12549630 0.70 CHRNB2 (0.49) CHRNB2CHRNA4LMNATDP1CCNC
SCHEMBL10915953 0.70 CHRNB2 (0.49) CHRNB2CHRNA4LMNATDP1CCNC
SCHEMBL10672805 0.69 CHRNB2 (0.45) CHRNB2CHRNA4LMNATDP1CCNC
SCHEMBL23934127 0.69 CNR1 (0.45) CHRNB2CHRNA4LMNATDP1CNR1
SCHEMBL7574405 0.69 CHRNB2 (0.39) CHRNB2CHRNA4LMNATDP1CCNC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
WO-2000071520-A2 ARYL SUBSTITUTED ALKYLAMINES CAPABLE OF ACTIVATING NICOTINIC CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2000-11-30 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 32/4885LMNA 1788/4885
US-20010014691-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE PNMT, HNMT, CHRM3 CHRNB2 32/4885CHRNA4 34/4885LMNA 1546/4885

“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.