SCHEMBL13248583

SCHEMBL13248583

COC(=O)c1ccc2c(c1)c(C1(C#N)CCC1)cn2C

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 18/20 0.45
MTNR1A P48039 17/20 0.45

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
SCHEMBL2995980 0.82 HTR6 (0.38)
SCHEMBL2995052 0.76 GPR84 (0.47) MTNR1BMTNR1A
SCHEMBL13248555 0.72 MTNR1A (0.44) MTNR1BMTNR1A
SCHEMBL22538729 0.72 NR4A2 (0.49)
SCHEMBL13248551 0.71 MTNR1A (0.44) MTNR1BMTNR1A
SCHEMBL1554429 0.71 MTNR1A (0.49) MTNR1BMTNR1A
SCHEMBL15687469 0.71 NR4A2 (0.51)
SCHEMBL1933762 0.71 MAPT (0.51)
SCHEMBL13806396 0.71 KDM4E (0.51)
SCHEMBL2515106 0.70 BDKRB1 (0.48)

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-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 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-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 MTNR1B 3105/4885MTNR1A 3533/4885

“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.