SCHEMBL3334209

SCHEMBL3334209

Cc1cc(C(=O)N2CC3CC2CCN3)no1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 2/20 0.49
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
S1PR3 Q99500 1/20 0.39
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
CYP2D6 P10635 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL3333235 0.81 CHRNA4 (0.50) CHRNA4KMT2A
SCHEMBL3334385 0.79 CHRNA4 (0.48) CHRNA4KMT2ANPC1RAB9A
SCHEMBL3336193 0.78 CHRNA4 (0.49) CHRNA4KMT2AGAAS1PR3CYP2D6
SCHEMBL3334976 0.77 CHRNA4 (0.50) CHRNA4KMT2AGAAS1PR3MAPT
SCHEMBL3337977 0.77 CHRNA4 (0.50) CHRNA4NPC1RAB9A
SCHEMBL3334834 0.77 CHRNA4 (0.50) CHRNA4NPC1RAB9A
SCHEMBL3340537 0.77 CHRNA4 (0.50) CHRNA4
SCHEMBL3333206 0.76 CHRNA4 (0.53) CHRNA4NPC1RAB9A
SCHEMBL3336492 0.76 CHRNB2 (0.49) CHRNA4NPC1RAB9AMAPT
SCHEMBL3335170 0.74 CHRNA4 (0.72) CHRNA4KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144700-A1 HETEROCYCLIC-CARBONYL-DIAZABICYCLOALKANES AS MODULATORS OF THE NEURONAL NICOTINIC ACETYLCHOLINE ALPHA 4 BETA 2, SUBTYPE RECEPTOR FOR THE TREATMENT OF CNS RELATED DISORDERS TARGACEPT, INC. (US) 2010-06-10 US claimed
WO-2008112734-A1 HETEROCYCLIC-CARBONYL-DIAZABICYCLOALKANES AS MODULATORS OF THE NEURONAL NICOTINIC ACETYLCHOLINE ALPHA 4 BETA 2, SUBTYPE RECEPTOR FOR THE TREATMENT OF CNS RELATED DISORDERS TARGACEPT, INC. (US) 2008-09-18 WO claimed
US-20100144700-A1 HETEROCYCLIC-CARBONYL-DIAZABICYCLOALKANES AS MODULATORS OF THE NEURONAL NICOTINIC ACETYLCHOLINE ALPHA 4 BETA 2, SUBTYPE RECEPTOR FOR THE TREATMENT OF CNS RELATED DISORDERS TARGACEPT, INC. (US) 2010-06-10 US disclosed
WO-2008112734-A1 HETEROCYCLIC-CARBONYL-DIAZABICYCLOALKANES AS MODULATORS OF THE NEURONAL NICOTINIC ACETYLCHOLINE ALPHA 4 BETA 2, SUBTYPE RECEPTOR FOR THE TREATMENT OF CNS RELATED DISORDERS TARGACEPT, INC. (US) 2008-09-18 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-20100144700-A1 HETEROCYCLIC-CARBONYL-DIAZABICYCLOALKANES AS MODULATORS OF THE NEURONAL NICOTINIC ACETYLCHOLINE ALPHA 4 BETA 2, SUBTYPE RECEPTOR FOR THE TREATMENT OF CNS RELATED DISORDERS CHRNA10, CHRNA2, CHRNE CHRNA4 8/4885KMT2A 2271/4885GAA 3960/4885

“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.