SCHEMBL6904437

SCHEMBL6904437

CN1CCCC1C=CCc1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
CHRNB2 P17787 6/20 0.48
CHRNA4 P43681 6/20 0.48
CHRNB4 P30926 5/20 0.48
CHRNA3 P32297 5/20 0.48
CHRNA7 P36544 4/20 0.48
ALDH1A1 P00352 3/20 0.48
CHRNA2 Q15822 2/20 0.48
CHRNA1 P02708 2/20 0.48
CHRNB1 P11230 2/20 0.48
CHRNB3 Q05901 2/20 0.48
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTR3E A5X5Y0 1/20 0.48
PSIP1 O75475 1/20 0.48
TRPA1 O75762 1/20 0.48
HTR3B O95264 1/20 0.48
CHRNG P07510 1/20 0.48
MAPT P10636 1/20 0.48
CYP2A6 P11509 1/20 0.48

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
SCHEMBL6904436 1.00 HRH3 (0.49) HRH3CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6909069 0.77 CHRNA7 (0.57) HRH3CHRNB2CHRNA4CHRNA7ALDH1A1
SCHEMBL6909064 0.77 CHRNA7 (0.57) HRH3CHRNB2CHRNA4CHRNA7ALDH1A1
SCHEMBL17064765 0.75 KDM4E (0.44) HRH3CHRNB2CHRNA4CHRNA7ALDH1A1
SCHEMBL12090225 0.73 CHRNB2 (0.62) HRH3CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6910907 0.70 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA3CHRNA7ALDH1A1
SCHEMBL7552752 0.70 CHRM2 (0.64) HRH3CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6910904 0.70 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA3CHRNA7ALDH1A1
SCHEMBL7548893 0.68 CHRNB2 (0.55) HRH3CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7547828 0.68 CHRNB2 (0.55) HRH3CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311265-B1 PHARMACEUTICAL COMPOSITIONS FOR TREATING NEUROLOGICAL DISORDERS TARGACEPT INC (US) 2004-12-29 EP disclosed
US-6743812-B1 2,3-DIACYLTARTARIC ACID SALTS OF E-METANICOTINE; NERVOUS SYSTEM DISORDERS; AGONISTS OF SPECIFIC NICOTINIC RECEPTOR SUBTYPES TARGACEPT, INC. 2004-06-01 US disclosed
EP-1317267-A2 COMPOSITIONS CONTAINING DIACYLTARTARIC SALTS OF (E)-METANICOTINE Targacept, Inc. (US) 2003-06-11 EP disclosed
EP-1311265-A2 PHARMACEUTICAL COMPOSITIONS FOR TREATING NEUROLOGICAL DISORDERS Targacept, Inc. (US) 2003-05-21 EP disclosed
US-20030087915-A1 Pharmaceutical compositions and methods for use DULL GARY MAURICE (US) 2003-05-08 US disclosed
US-6492399-B1 SUCH AS N-METHYL-4-(3-(5-NITRO-6-AMINOPYRIDIN)YL)-3-BUTEN-1-AMINE; NICOTINIC CHOLINERGIC RECEPTOR AGONISTS TARGACEPT, INC. 2002-12-10 US disclosed
US-6455554-B1 COMPOUNDS CAPABLE OF AFFECTING NICOTINIC CHOLINERGIC RECEPTORS; TREATOMG CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT, INC. 2002-09-24 US disclosed
US-6432954-B1 CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT, INC. 2002-08-13 US disclosed
EP-1185514-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Targacept, Inc. (US) 2002-03-13 EP disclosed
WO-2002005801-A2 COMPOSITIONS CONTAINING DIACYLTARTARIC SALTS OF (E)-METANICOTINE TARGACEPT, INC. (US) 2002-01-24 WO disclosed
WO-2002005798-A2 PHARMACEUTICAL COMPOSITIONS FOR TREATING NEUROLOGICAL DISORDERS TARGACEPT, INC. (US) 2002-01-24 WO disclosed
WO-2000075110-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. (US) 2000-12-14 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-20030087915-A1 Pharmaceutical compositions and methods for use H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP4B1, HTR3E HRH3 495/4885CHRNB2 227/4885CHRNA4 145/4885

“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.