SCHEMBL4619468

SCHEMBL4619468

O=C(NCC1C2CN(Cc3ccccc3)CC12)C(O)(c1ccccc1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 3/20 0.42
S1PR1 P21453 2/20 0.42
GRK5 P34947 1/20 0.42
CDK8 P49336 1/20 0.42
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
SIGMAR1 Q99720 3/20 0.40
CCR2 P41597 1/20 0.39

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
SCHEMBL5105573 0.86 CHRM3 (0.46) S1PR5S1PR1CHRM2CHRM1CHRM3
SCHEMBL5105568 0.86 CHRM3 (0.46) S1PR5S1PR1CHRM2CHRM1CHRM3
SCHEMBL4149372 0.82 CACNA1G (0.46) SIGMAR1
SCHEMBL5099416 0.82 CACNA1G (0.46) SIGMAR1
SCHEMBL5428754 0.81 HTR4 (0.41) S1PR5S1PR1CHRM2CHRM1CHRM3
SCHEMBL4617514 0.81 HTR4 (0.41) S1PR5S1PR1CHRM2CHRM1CHRM3
SCHEMBL4619124 0.80 S1PR5 (0.41) S1PR5S1PR1GRK5CDK8CHRM2
SCHEMBL5099505 0.80 CHRM3 (0.45) S1PR5S1PR1CHRM2CHRM1CHRM3
SCHEMBL4136290 0.80 CHRM3 (0.45) S1PR5S1PR1CHRM2CHRM1CHRM3
SCHEMBL4617649 0.80 CHRM2 (0.59) CHRM2CHRM1CHRM3

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 S1PR5 139/4885S1PR1 177/4885GRK5 120/4885

“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.