SCHEMBL4620320

SCHEMBL4620320

O=C(O)Nc1cccc(CN2CC3C(CNC(=O)Cc4cccc(C5CCCCC5)c4O)C3C2)n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.35
CDK5 Q00535 4/20 0.35
CDK5R1 Q15078 4/20 0.35
S1PR1 P21453 1/20 0.32
GRM5 P41594 1/20 0.31
NPC1 O15118 1/20 0.31
GSK3B P49841 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL4618127 0.99 CDK5 (0.34) ACKR3CDK5CDK5R1S1PR1GSK3B
SCHEMBL4620310 0.74 CHRM2 (0.53)
SCHEMBL4618121 0.73 CHRM2 (0.54)
SCHEMBL3616012 0.73 FNTA (0.34)
SCHEMBL4620490 0.72 CHRM2 (0.39) ACKR3CDK5CDK5R1S1PR1
SCHEMBL3212388 0.69 NPC1 (0.39) NPC1
SCHEMBL3220496 0.67 NPC1 (0.42) NPC1
SCHEMBL3205361 0.66 NPC1 (0.47) NPC1
SCHEMBL2149530 0.66 CDK5 (0.52) ACKR3CDK5CDK5R1S1PR1NPC1
SCHEMBL4969723 0.66 PTGDR2 (0.49) PTGDR2

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-20080319043-A1 3,6-Disubstituted Azabicyclo (3.1.0) Hexane Derivatives as Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-12-25 US claimed
US-20080319043-A1 3,6-Disubstituted Azabicyclo (3.1.0) Hexane Derivatives as Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-12-25 US disclosed
EP-1888525-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0]HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-02-20 EP disclosed
WO-2006117754-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 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-20080319043-A1 3,6-Disubstituted Azabicyclo (3.1.0) Hexane Derivatives as Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 ACKR3 113/4885CDK5 907/4885CDK5R1 519/4885

“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.