SCHEMBL46402

SCHEMBL46402

O=CN1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.67
CHRM2 P08172 2/20 0.67
CHRM4 P08173 2/20 0.67
CHRM3 P20309 1/20 0.67
OPRM1 P35372 7/20 0.64
OPRK1 P41145 2/20 0.64
OPRL1 P41146 2/20 0.64
SLC18A3 Q16572 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
PLD1 Q13393 1/20 0.58
DRD2 P14416 1/20 0.57
KCNH2 Q12809 1/20 0.57
HSD11B1 P28845 1/20 0.57

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
SCHEMBL319049 0.86 CHRM1 (0.70) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL13081211 0.84 OPRM1 (0.69) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL13351318 0.84 CHRM1 (0.68) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL14593660 0.84 CHRM1 (0.68) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL4152396 0.84 CYP2D6 (0.70) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL14141301 0.83 DRD2 (0.48) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL13801259 0.83 SMN1; SMN2 (0.50) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL3142425 0.83 CHRM1 (0.81) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL4084782 0.83 CHRM1 (0.76) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL13801245 0.82 CHRM1 (0.65) CHRM1CHRM2CHRM4CHRM3OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011150457-A2 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2011-12-08 WO disclosed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS CHRM1 2/4885CHRM2 6/4885CHRM4 20/4885

“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.