SCHEMBL23176012

SCHEMBL23176012

CCCn1cc(COC)nn1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.44
NOTUM Q6P988 1/20 0.42
GBA1 P04062 7/20 0.41
CYP19A1 P11511 2/20 0.40
HSP90AB1 P08238 1/20 0.39

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
SCHEMBL23175972 0.89 DGAT1 (0.48) DGAT1GBA1HSP90AB1
SCHEMBL16840813 0.85 NOTUM (0.44) DGAT1NOTUMCYP19A1HSP90AB1
SCHEMBL14925585 0.84 DGAT1 (0.43) DGAT1NOTUMCYP19A1HSP90AB1
SCHEMBL26699501 0.83 DRD2 (0.44) DGAT1NOTUMHSP90AB1
SCHEMBL1753962 0.80 GBA1 (0.45) GBA1CYP19A1
SCHEMBL25138066 0.80 DGAT1 (0.47) DGAT1
SCHEMBL18850695 0.80 DGAT1 (0.47) DGAT1
SCHEMBL20805926 0.79 NOTUM (0.43) DGAT1NOTUMCYP19A1HSP90AB1
SCHEMBL6355508 0.79 NOTUM (0.43) DGAT1NOTUMCYP19A1HSP90AB1
SCHEMBL20805924 0.79 P2RX7 (0.41) DGAT1NOTUMCYP19A1HSP90AB1

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-20210094950-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH 2021-04-01 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-20210094950-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE CSNK1A1, CSNK1E, CSNK1G3 DGAT1 1576/4885NOTUM 3592/4885GBA1 758/4885

“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.