SCHEMBL5228523

SCHEMBL5228523

c1ccc(C2CC3CCN2CC3)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.62
CHRNB2 P17787 2/20 0.62
CHRNA4 P43681 2/20 0.62
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
SLC18A3 Q16572 6/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
GRIN2B Q13224 2/20 0.43
CYP2D6 P10635 3/20 0.42
CYP2C19 P33261 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
SMN1; SMN2 Q16637 1/20 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
SCHEMBL28338184 0.79 CHRNA7 (0.50) CHRNA7CHRNB2CHRNA4SLC18A3MEN1
SCHEMBL5238467 0.79 CHRNA7 (0.50) CHRNA7CHRNB2CHRNA4SLC18A3SMN1; SMN2
SCHEMBL195154 0.77 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL29376765 0.77 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL195155 0.77 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL29615758 0.76 CHRNA7 (0.97) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3223024 0.74 CHRNA7 (0.49) CHRNA7CHRNB2CHRNA4SIGMAR1SMN1; SMN2
SCHEMBL8596429 0.74 CYP11B2 (0.49) CHRNA7CHRNB2CHRNA4CYP2D6CYP1A2
SCHEMBL4785907 0.73 CHRNA7 (0.88) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL9287736 0.72 CHRNB2 (0.44) CHRNA7CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098312-A1 METHODS FOR PREVENTING THE DEVELOPMENT OF RETINOPATHY BY THE ORAL ADMINISTRATION OF NNR LIGANDS Targacept ,Inc (US) 2011-04-28 US disclosed
EP-1315493-A4 2-3-DISUBSTITUTED QUINUCLIDINES AS MODULATORS OF MONOAMINE TRANSPORTERS AND THERAPEUTIC AND DIAGNOSTIC METHODS BASED THEREON UNIV GEORGETOWN (US) 2007-12-05 EP disclosed
EP-1315493-A1 2-3-DISUBSTITUTED QUINUCLIDINES AS MODULATORS OF MONOAMINE TRANSPORTERS AND THERAPEUTIC AND DIAGNOSTIC METHODS BASED THEREON GEORGETOWN UNIVERSITY (US) 2003-06-04 EP disclosed
WO-2002015906-A1 2-3-DISUBSTITUTED QUINUCLIDINES AS MODULATORS OF MONOAMINE TRANSPORTERS AND THERAPEUTIC AND DIAGNOSTIC METHODS BASED THEREON GEORGETOWN UNIVERSITY (US) 2002-02-28 WO disclosed
US-5494918-A ANTICHOLESTEROL AGENTS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-02-27 US disclosed
US-5385912-A Hypocholesterolemic or hypolipidemic agents RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-01-31 US disclosed
WO-1992015579-A1 MULTICYCLIC TERTIARY AMINE POLYAROMATIC SQUALENE SYNTHETASE INHIBITORS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-09-17 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-20110098312-A1 METHODS FOR PREVENTING THE DEVELOPMENT OF RETINOPATHY BY THE ORAL ADMINISTRATION OF NNR LIGANDS CHRNA10, CHRNA5, CHRNB2 CHRNA7 6/4885CHRNB2 3/4885CHRNA4 10/4885

“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.