SCHEMBL9252755

SCHEMBL9252755

CC(C)CCC1CCN(C(C)C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.37
HTT P42858 1/20 0.35
DPP4 P27487 2/20 0.34
ACE P12821 2/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.31
OPRK1 P41145 1/20 0.30
POLB P06746 1/20 0.30
OPRM1 P35372 2/20 0.30
OPRL1 P41146 2/20 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
SCHEMBL18067762 1.00 PIK3CD (0.37) PIK3CDHTTDPP4ACEMAPT
SCHEMBL18067760 1.00 PIK3CD (0.37) PIK3CDHTTDPP4ACEMAPT
SCHEMBL18067764 0.91 ACE (0.43) PIK3CDHTTDPP4ACEMAPT
SCHEMBL18067766 0.91 ACE (0.43) PIK3CDHTTDPP4ACEMAPT
SCHEMBL9252445 0.89 PIK3CD (0.35) PIK3CDDPP4ACEMAPT
SCHEMBL9252361 0.83 PIK3CD (0.38) PIK3CDDPP4ACEMAPTGAA
SCHEMBL2602295 0.81 DPP4 (0.36) PIK3CDDPP4ACEMAPTPOLB
SCHEMBL18067759 0.80 ACE (0.33) PIK3CDDPP4ACEMAPT
SCHEMBL13559834 0.80 CYP1A2 (0.38) HTTACE
SCHEMBL9259179 0.80 TSHR (0.34) PIK3CDDPP4ACEMAPT

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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND BACE1, STS, APP PIK3CD 1714/4885HTT 56/4885DPP4 1078/4885

“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.