SCHEMBL3223024

SCHEMBL3223024

CCc1cccc(C2CC3CCN2CC3)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.49
CHRNB2 P17787 2/20 0.49
CHRNA4 P43681 2/20 0.49
SIGMAR1 Q99720 1/20 0.45
DPP4 P27487 1/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL17302553 0.75 CHRNB2 (0.60) CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL22170310 0.74 CHRNB2 (0.54) CHRNA7CHRNB2CHRNA4SMN1; SMN2KDM4E
SCHEMBL5228523 0.74 CHRNA7 (0.62) CHRNA7CHRNB2CHRNA4SIGMAR1SMN1; SMN2
SCHEMBL22805478 0.72 SIGMAR1 (0.47) SIGMAR1NPC1RAB9ADRD2DRD3
SCHEMBL18617809 0.71 DRD2 (0.50) SIGMAR1NPC1RAB9ADRD2DRD3
SCHEMBL29013249 0.70 PARP1 (0.51) CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL17072665 0.69 DRD3 (0.53) NPC1RAB9ADRD2DRD3DRD1
SCHEMBL5666205 0.68 DRD2 (0.49) SIGMAR1NPC1RAB9ADRD2DRD3
SCHEMBL5238467 0.67 CHRNA7 (0.50) CHRNA7CHRNB2CHRNA4SLC6A2SLC6A4
SCHEMBL3680708 0.67 SIGMAR1 (0.43) SIGMAR1NPC1RAB9ADRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056565-A1 Heterocyclic Derivatives as M3 Muscarinic Receptors ARGENTA DISCOVERY LIMITED (GB) 2010-03-04 US disclosed
EP-2121688-A1 HETEROCYCLIC DERIVATIVES AS M3 MUSCARINIC RECEPTORS Argenta Discovery Ltd (GB) 2009-11-25 EP disclosed
WO-2008099186-A1 HETEROCYCLIC DERIVATIVES AS M3 MUSCARINIC RECEPTORS ARGENTA DISCOVERY LIMITED (GB) 2008-08-21 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-20100056565-A1 Heterocyclic Derivatives as M3 Muscarinic Receptors CHRM2, CHRM3, CHRM1 CHRNA7 13/4885CHRNB2 38/4885CHRNA4 16/4885

“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.