SCHEMBL9965183

SCHEMBL9965183

CCC(=O)C1CC(O)CN1CC

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
CHRNB2 P17787 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNB3 Q05901 1/20 0.32
CHRNA6 Q15825 1/20 0.32
GAA P10253 1/20 0.32
CHRNB4 P30926 1/20 0.30
CHRNA7 P36544 1/20 0.30
PIK3CD O00329 1/20 0.30

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
SCHEMBL21290883 0.82 ATM (0.53) ATMGAA
SCHEMBL5067978 0.82 ATM (0.53) ATMGAA
SCHEMBL8895922 0.82 ATM (0.53) ATMGAA
SCHEMBL20158970 0.81 MAOA (0.40) ATMGAAPIK3CD
SCHEMBL20158969 0.81 MAOA (0.40) ATMGAAPIK3CD
SCHEMBL30148983 0.81 MAOA (0.40) ATMGAAPIK3CD
SCHEMBL17414173 0.78 ATM (0.40) ATMCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL15478092 0.78 ATM (0.40) ATMCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL17663642 0.78 ATM (0.40) ATMCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL24634003 0.78 PIK3CD (0.39) ATMCHRNB2CHRNA3CHRNA4CHRNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016050209-A1 HETEROFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE, PREPARATION METHOD, AND BIO-RELATED SUBSTANCE 厦门赛诺邦格生物科技有限公司 2016-04-07 WO disclosed
US-20120294843-A1 CASPASE INHIBITORS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2012-11-22 US disclosed
EP-1910378-B1 HEPATITIS C INHIBITOR PEPTIDE ANALOGS BOEHRINGER INGELHEIM INT (DE) 2012-06-20 EP 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-20120294843-A1 CASPASE INHIBITORS CASP1, CASP7, CASP14 ATM 2086/4885CHRNB2 4869/4885CHRNA3 4857/4885

“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.