SCHEMBL4131229

SCHEMBL4131229

Cc1ccc([C@@](O)(C(=O)NC[C@H]2[C@@H]3CNC[C@@H]32)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HTT P42858 3/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
PAX8 Q06710 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SSTR4 P31391 2/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 2/20 0.41
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4131231 1.00 ALDH1A1 (0.44) ALDH1A1HTTNPC1HPGDRAB9A
SCHEMBL4487733 0.92 CNR1 (0.49) ALDH1A1HTTSMN1; SMN2SSTR4CNR1
SCHEMBL5106109 0.92 CNR1 (0.49) ALDH1A1HTTSMN1; SMN2SSTR4CNR1
SCHEMBL4142833 0.87 PLK4 (0.44) ALDH1A1HTTSSTR4CNR1CNR2
SCHEMBL4142836 0.87 PLK4 (0.44) ALDH1A1HTTSSTR4CNR1CNR2
SCHEMBL4617833 0.85 SSTR4 (0.41) SSTR4LMNAKIF11POLB
SCHEMBL4619183 0.85 LMNA (0.53) ALDH1A1HTTNPC1HPGDSMN1; SMN2
SCHEMBL4136635 0.83 SSTR4 (0.50) SSTR4CNR1CNR2
SCHEMBL4136638 0.83 SSTR4 (0.50) SSTR4CNR1CNR2
SCHEMBL5099505 0.83 CHRM3 (0.45) ALDH1A1HTTNPC1HPGDRAB9A

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 ALDH1A1 3181/4885HTT 4803/4885NPC1 2107/4885
US-20070021487-A1 Azabicyclo derivatives as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 ALDH1A1 682/4885HTT 4081/4885NPC1 2964/4885

“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.