SCHEMBL4487733

SCHEMBL4487733

O=C(NC[C@H]1[C@@H]2CNC[C@@H]21)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
SSTR4 P31391 2/20 0.47
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CCR1 P32246 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MC4R P32245 1/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPY5R Q15761 1/20 0.37
GAA P10253 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
SCHEMBL5106109 1.00 CNR1 (0.49) CNR1CNR2SSTR4HTTLMNA
SCHEMBL4131229 0.92 ALDH1A1 (0.44) CNR1CNR2SSTR4HTTLMNA
SCHEMBL4142833 0.92 PLK4 (0.44) CNR1CNR2SSTR4HTTLMNA
SCHEMBL4131231 0.92 ALDH1A1 (0.44) CNR1CNR2SSTR4HTTLMNA
SCHEMBL4142836 0.92 PLK4 (0.44) CNR1CNR2SSTR4HTTLMNA
SCHEMBL4136635 0.87 SSTR4 (0.50) CNR1CNR2SSTR4CHRM2CHRM1
SCHEMBL4136638 0.87 SSTR4 (0.50) CNR1CNR2SSTR4CHRM2CHRM1
SCHEMBL4188307 0.87 CNR1 (0.46) CNR1CNR2SSTR4HTTLMNA
SCHEMBL4618316 0.86 ALDH1A1 (0.48) CNR1CNR2SSTR4HTTLMNA
SCHEMBL4619183 0.84 LMNA (0.53) CNR1CNR2SSTR4HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176856-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-07-09 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 (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-20090176856-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 CNR1 57/4885CNR2 65/4885SSTR4 462/4885

“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.