SCHEMBL4466104

SCHEMBL4466104

O=C(N[C@@]12C[C@@H]1CN(Cc1ccccc1)C2)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 4/20 0.43
CHRM2 P08172 3/20 0.41
CHRM1 P11229 3/20 0.41
NR1I2 O75469 1/20 0.39
RORC P51449 1/20 0.39
ARG1 P05089 1/20 0.39
ARG2 P78540 1/20 0.39
S1PR1 P21453 1/20 0.38
S1PR5 Q9H228 1/20 0.38
CCR1 P32246 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL9177398 0.82 CYP2D6 (0.42) ARG1ARG2S1PR1S1PR5ALDH1A1
SCHEMBL17512704 0.80 S1PR1 (0.43) S1PR1S1PR5
SCHEMBL9838655 0.80 ALDH1A1 (0.42) S1PR1S1PR5ALDH1A1
SCHEMBL9185202 0.78 KMT2A (0.46) ALDH1A1
Ammonia Solution, Strong SCHEMBL9182347 0.77 KMT2A (0.45) ALDH1A1
SCHEMBL4683643 0.77 CHRM3 (0.40) CHRM3CHRM2CHRM1NR1I2RORC
SCHEMBL3909542 0.77 CHRM3 (0.40) CHRM3CHRM2CHRM1NR1I2RORC
SCHEMBL5948243 0.76 CHRM2 (0.48) CHRM3CHRM2CHRM1ALDH1A1
SCHEMBL5948242 0.76 CHRM2 (0.48) CHRM3CHRM2CHRM1ALDH1A1
SCHEMBL9185084 0.76 CTSK (0.40) S1PR1S1PR5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592359-B2 Substituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-09-22 US claimed
US-20070287732-A1 Substituted Azabicyclo Hexane Derivatives as Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-12-13 US claimed
EP-1615634-B1 SUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LAB LTD (IN) 2007-05-16 EP claimed
US-7592359-B2 Substituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-09-22 US disclosed
US-20070287732-A1 Substituted Azabicyclo Hexane Derivatives as Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-12-13 US disclosed
EP-1615634-B1 SUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LAB LTD (IN) 2007-05-16 EP disclosed
EP-1615634-A1 SUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2006-01-18 EP disclosed
WO-2004089363-A1 SUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-10-21 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-20070287732-A1 Substituted Azabicyclo Hexane Derivatives as Muscarinic Receptor Antagonists CHRM5, CHRM3, CHRM2 CHRM3 2/4885CHRM2 3/4885CHRM1 5/4885

“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.