SCHEMBL4140791

SCHEMBL4140791

CC(C)[C@@](O)(C(=O)NC[C@@H]1C2CNC[C@H]21)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 7/20 0.44
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
MAN2A1 Q16706 1/20 0.38
MAN1B1 Q9UKM7 1/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
GAA P10253 1/20 0.34
MC4R P32245 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL4140788 1.00 SSTR4 (0.44) SSTR4CHRM2CHRM1CHRM3MAN2A1
SCHEMBL4878440 1.00 SSTR4 (0.44) SSTR4CHRM2CHRM1CHRM3MAN2A1
Hydrochloric Acid SCHEMBL4131155 0.99 SSTR4 (0.43) SSTR4CHRM2CHRM1CHRM3MAN2A1
Hydrochloric Acid SCHEMBL4131159 0.99 SSTR4 (0.43) SSTR4CHRM2CHRM1CHRM3MAN2A1
SCHEMBL4152926 0.88 SSTR4 (0.42) SSTR4CHRM2CHRM1CHRM3MAN2A1
SCHEMBL4487733 0.84 CNR1 (0.49) SSTR4CHRM2CHRM1CHRM3CNR1
SCHEMBL5106109 0.84 CNR1 (0.49) SSTR4CHRM2CHRM1CHRM3CNR1
SCHEMBL4136635 0.83 SSTR4 (0.50) SSTR4CHRM2CHRM1CHRM3CNR1
SCHEMBL4136638 0.83 SSTR4 (0.50) SSTR4CHRM2CHRM1CHRM3CNR1
SCHEMBL4617514 0.81 HTR4 (0.41) CHRM2CHRM1CHRM3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221664-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-09-03 US claimed
US-20090221664-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-09-03 US disclosed
US-20070021487-A1 Azabicyclo derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-01-25 US 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 (2 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-20090221664-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS ADRB2, ADRB1, ADRA2C SSTR4 1022/4885CHRM2 9/4885CHRM1 27/4885
US-20070021487-A1 Azabicyclo derivatives as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 SSTR4 836/4885CHRM2 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.