SCHEMBL4136638

SCHEMBL4136638

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 14/20 0.50
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
SSTR1 P30872 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
AR P10275 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
CNR1 P21554 1/20 0.37

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
SCHEMBL4136635 1.00 SSTR4 (0.50) SSTR4PRMT5WDR77SSTR1CHRM2
SCHEMBL4487733 0.87 CNR1 (0.49) SSTR4CHRM2CHRM1CHRM3CNR1
SCHEMBL5106109 0.87 CNR1 (0.49) SSTR4CHRM2CHRM1CHRM3CNR1
SCHEMBL4131231 0.83 ALDH1A1 (0.44) SSTR4CNR1CNR2
SCHEMBL4140788 0.83 SSTR4 (0.44) SSTR4CHRM2CHRM1CHRM3CNR1
SCHEMBL4140791 0.83 SSTR4 (0.44) SSTR4CHRM2CHRM1CHRM3CNR1
SCHEMBL4878440 0.83 SSTR4 (0.44) SSTR4CHRM2CHRM1CHRM3CNR1
SCHEMBL4131229 0.83 ALDH1A1 (0.44) SSTR4CNR1CNR2
Hydrochloric Acid SCHEMBL4131155 0.82 SSTR4 (0.43) SSTR4CHRM2CHRM1CHRM3CNR1
Hydrochloric Acid SCHEMBL4131159 0.82 SSTR4 (0.43) SSTR4CHRM2CHRM1CHRM3CNR1

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-20090221664-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-09-03 US claimed
US-20070021487-A1 Azabicyclo derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-01-25 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 1022/4885PRMT5 1802/4885WDR77 2548/4885
US-20070021487-A1 Azabicyclo derivatives as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 SSTR4 836/4885PRMT5 1264/4885WDR77 1611/4885

“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.