SCHEMBL4620490

SCHEMBL4620490

O=C(O)Nc1cccc(CN2CC3C(CNC(=O)C(O)(c4ccccc4)c4ccccc4)C3C2)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.39
CHRM1 P11229 5/20 0.39
CHRM3 P20309 5/20 0.39
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
S1PR1 P21453 1/20 0.36
FAAH O00519 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
HTR4 Q13639 1/20 0.35
CCR1 P32246 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
ACKR3 P25106 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
SCHEMBL4618121 0.87 CHRM2 (0.54) CHRM2CHRM1CHRM3
SCHEMBL4620310 0.86 CHRM2 (0.53) CHRM2CHRM1CHRM3
SCHEMBL4620408 0.86 CHRM2 (0.46) CHRM2CHRM1CHRM3CNR1CNR2
SCHEMBL5105573 0.80 CHRM3 (0.46) CHRM2CHRM1CHRM3CNR1CNR2
SCHEMBL5105568 0.80 CHRM3 (0.46) CHRM2CHRM1CHRM3CNR1CNR2
SCHEMBL4137086 0.77 CHRM2 (0.48) CHRM2CHRM1CHRM3CNR1CNR2
SCHEMBL4137091 0.77 CHRM2 (0.48) CHRM2CHRM1CHRM3CNR1CNR2
SCHEMBL4143237 0.77 CHRM2 (0.50) CHRM2CHRM1CHRM3FAAH
SCHEMBL4143233 0.77 CHRM2 (0.50) CHRM2CHRM1CHRM3FAAH
SCHEMBL5099505 0.76 CHRM3 (0.45) CHRM2CHRM1CHRM3CNR1CNR2

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 CHRM2 3/4885CHRM1 5/4885CHRM3 1/4885

“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.