SCHEMBL4184283

SCHEMBL4184283

O=C(OC1C2CCC1CNC2)C1c2ccccc2Oc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 6/20 0.55
CHRM2 P08172 4/20 0.55
CHRM1 P11229 4/20 0.55
ATM Q13315 2/20 0.47
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL13875521 0.82 CHRM3 (0.59) CHRM3CHRM2CHRM1ATMCYP1A2
SCHEMBL4186721 0.78 CHRM3 (0.55) CHRM3CHRM2CHRM1ATMALDH1A1
SCHEMBL13875534 0.76 ATM (0.45) CHRM3CHRM2CHRM1ATMHDAC3
SCHEMBL13981157 0.72 ATM (0.56) CHRM3CHRM2CHRM1ATMCYP1A2
SCHEMBL13989160 0.72 ATM (0.56) CHRM3CHRM2CHRM1ATMCYP1A2
Trantelinium SCHEMBL29385462 0.71 APOBEC3A (0.53) CHRM3CHRM2CHRM1ATMCYP1A2
SCHEMBL3574604 0.71 CHRM3 (1.00) CHRM3CHRM2CHRM1ALDH1A1
SCHEMBL7200244 0.71 CHRM3 (1.00) CHRM3CHRM2CHRM1ALDH1A1
SCHEMBL5532368 0.71 CHRM1 (0.59) CHRM3CHRM2CHRM1ATMCYP1A2
SCHEMBL10522120 0.71 CHRM2 (0.45) CHRM3CHRM2CHRM1ATMCYP1A2

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-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-04-23 US claimed
EP-1797040-A1 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-06-20 EP claimed
WO-2006035303-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-04-06 WO claimed
US-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-04-23 US disclosed
US-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-04-23 US disclosed
US-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-04-23 US disclosed
EP-1797040-A1 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-06-20 EP disclosed
WO-2006035303-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-04-06 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-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 CHRM3 1/4885CHRM2 3/4885CHRM1 4/4885

“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.