SCHEMBL3334698

SCHEMBL3334698

O=C(c1ccc(Cl)o1)N1CCCC2NCCC21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.43
CHRNB4 P30926 3/20 0.43
CHRNA3 P32297 3/20 0.43
CHRNA4 P43681 3/20 0.43
CHRNA7 P36544 2/20 0.43
HTR3A P46098 1/20 0.43
OPRK1 P41145 3/20 0.38
OPRM1 P35372 2/20 0.38
CSF1R P07333 1/20 0.36
L3MBTL3 Q96JM7 2/20 0.36
MBTD1 Q05BQ5 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
SCN5A Q14524 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
GYS1 P13807 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL3335503 0.92 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL3335203 0.89 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL3339928 0.89 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL3334162 0.88 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL3339130 0.86 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL3334215 0.85 ALDH1A1 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL3337008 0.82 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL3336537 0.81 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL3337606 0.80 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL3341257 0.79 CHRNA7 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7

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 CHRNB2 4/4885CHRNB4 12/4885CHRNA3 6/4885

“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.