SCHEMBL7245296

SCHEMBL7245296

Cc1ncccc1OCCCCl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.46
CHRNA4 P43681 3/20 0.46
PDE5A O76074 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
CHRNB1 P11230 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNB3 Q05901 1/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 4/20 0.44
GAA P10253 2/20 0.44
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 3/20 0.41

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
SCHEMBL14224809 0.85 CYP2C19 (0.56) CHRNB2CHRNA4PDE5APDE4APDE4B
SCHEMBL8126961 0.83 CYP1A2 (0.50) CHRNB2CHRNA4PDE5APDE4APDE4B
SCHEMBL6655861 0.82 CHRNB2 (0.51) CHRNB2CHRNA4PDE5APDE4APDE4B
SCHEMBL27684835 0.81 PDE5A (0.50) CHRNB2CHRNA4PDE5APDE4APDE4B
SCHEMBL4307757 0.81 CHRNB2 (0.46) CHRNB2CHRNA4PDE5ACHRNB1CHRNB4
SCHEMBL3528380 0.81 KDM4E (0.55) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL17672492 0.81 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL12031808 0.81 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL12301195 0.80 MAPT (0.55) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL7103763 0.80 HRH1 (0.53) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3

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 32/4885PDE5A 251/4885
US-20010014691-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE PNMT, HNMT, CHRM3 CHRNB2 32/4885CHRNA4 34/4885PDE5A 236/4885

“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.