SCHEMBL13656405

SCHEMBL13656405

COc1ccc2c(c1)CC(=O)N2CCNC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.49
MTNR1B P49286 14/20 0.49
NQO2 P16083 5/20 0.46
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL8305774 0.82 CHRM1 (0.52) MTNR1AMTNR1BNQO2
SCHEMBL14875980 0.80 NOTUM (0.44)
SCHEMBL14876545 0.78 PTGDR2 (0.49)
SCHEMBL26646898 0.77 BRD4 (0.56) SMN1; SMN2
SCHEMBL9854057 0.77 CACNA1S (0.53)
SCHEMBL10738495 0.73 NOTUM (0.46) MTNR1AMTNR1BNQO2SMN1; SMN2
SCHEMBL10829246 0.73 NOTUM (0.58) SMN1; SMN2
SCHEMBL10746029 0.73 BMPR1B (0.41) SMN1; SMN2
SCHEMBL578369 0.72 LMNA (0.60)
SCHEMBL30068092 0.72 MEN1 (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309823-A1 PERCUTANEOUS ABSORPTION PREPARATIONS SUZUKI YASUYUKI (JP) 2012-12-06 US disclosed
US-20090264521-A1 Percutaneous absorption preparation SUZUKI YASUYUKI 2009-10-22 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-20090264521-A1 Percutaneous absorption preparation MTNR1A, MTNR1B, NPSR1 MTNR1A 1/4885MTNR1B 2/4885NQO2 2145/4885
US-20120309823-A1 PERCUTANEOUS ABSORPTION PREPARATIONS MTNR1A, MTNR1B, MC1R MTNR1A 1/4885MTNR1B 2/4885NQO2 1994/4885

“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.