SCHEMBL17032192

SCHEMBL17032192

Cc1cnc(CCC(C)(C)C)o1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.40
MTNR1B P49286 1/20 0.37
CDK2 P24941 2/20 0.33
CCNE2 O96020 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
MTNR1A P48039 1/20 0.33

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
SCHEMBL21325489 0.80 CDK2 (0.43) NUDT1CDK2CCNE2CDK4CCND1
SCHEMBL10202951 0.79 CDK2 (0.34) NUDT1MTNR1BCDK2CCNE2CDK4
SCHEMBL21325541 0.77 CCNB2 (0.35) NUDT1CDK2CCNE2CDK4CCND1
SCHEMBL12128445 0.77
SCHEMBL21894059 0.75
SCHEMBL5541549 0.75
SCHEMBL48654 0.75
SCHEMBL7893835 0.75
SCHEMBL24777619 0.72 CDK2 (0.35) MTNR1BCDK2CCNE2CDK4CCND1
SCHEMBL4164113 0.72 MTNR1B (0.37) MTNR1BCDK2CCNE2CDK4CCND1

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-9169240-B2 Ketone linked benzothiazole inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-27 US disclosed
US-20150239879-A1 KETONE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2015-08-27 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-20150239879-A1 KETONE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LPL, LIPE NUDT1 2542/4885MTNR1B 4220/4885CDK2 1760/4885

“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.