SCHEMBL21413643

SCHEMBL21413643

CC(=O)NC1CCOCC1O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.38
CDK4 P11802 5/20 0.35
CCND1 P24385 5/20 0.35
CCND3 P30281 5/20 0.35
CDK6 Q00534 5/20 0.35
OGA O60502 1/20 0.35
GABRA1 P14867 3/20 0.35
PSEN1 P49768 3/20 0.34
PSEN2 P49810 3/20 0.34
APH1B Q8WW43 3/20 0.34
NCSTN Q92542 3/20 0.34
APH1A Q96BI3 3/20 0.34
PSENEN Q9NZ42 3/20 0.34

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
SCHEMBL23130862 0.85 OGA (0.35) CHRM1OGAPSEN1PSEN2APH1B
SCHEMBL6007557 0.85 OGA (0.35) CHRM1OGAPSEN1PSEN2APH1B
SCHEMBL17440119 0.82 CHRM1 (0.41) CHRM1CDK4CCND1CCND3CDK6
SCHEMBL31734687 0.82 CHRM1 (0.41) CHRM1CDK4CCND1CCND3CDK6
SCHEMBL12099248 0.82 CHRM1 (0.41) CHRM1CDK4CCND1CCND3CDK6
SCHEMBL15932504 0.82 OGA (0.38) OGAPSEN1PSEN2APH1BNCSTN
SCHEMBL15932501 0.82 OGA (0.38) OGAPSEN1PSEN2APH1BNCSTN
SCHEMBL24015540 0.82 OGA (0.38) OGAPSEN1PSEN2APH1BNCSTN
SCHEMBL25918400 0.81 CHRM1 (0.33) CHRM1CDK4CCND1CCND3CDK6
SCHEMBL19983195 0.81 CYP11B2 (0.34) OGAGABRA1PSEN1PSEN2APH1B

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-10428080-B2 TBK/IKK inhibitor compounds and uses thereof MERCK PATENT GMBH (DE) 2019-10-01 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-10428080-B2 TBK/IKK inhibitor compounds and uses thereof NFKBIA, TBKBP1, TBK1 CHRM1 4407/4885CDK4 1052/4885CCND1 3094/4885

“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.