SCHEMBL10217397

SCHEMBL10217397

CC(=O)N[C@H]1C[C@@H](C(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.50
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
TLR4 O00206 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNA2 P20248 1/20 0.34
CCND1 P24385 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 0.34
CCNA1 P78396 1/20 0.34
CDK3 Q00526 1/20 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
SCHEMBL21161443 1.00 ATM (0.50) ATMALDH1A1KDM4ETLR4MEN1
SCHEMBL7894278 1.00 ATM (0.50) ATMALDH1A1KDM4ETLR4MEN1
SCHEMBL25444531 0.85 ATM (0.46) ATMALDH1A1KDM4ETLR4MEN1
SCHEMBL23081092 0.84 ALDH1A1 (0.50) ATMALDH1A1KDM4ETLR4MTNR1A
SCHEMBL25444128 0.84 ALDH1A1 (0.50) ATMALDH1A1KDM4ETLR4MTNR1A
SCHEMBL14519179 0.84 ALDH1A1 (0.50) ATMALDH1A1KDM4ETLR4MTNR1A
SCHEMBL23259954 0.84 ALDH1A1 (0.50) ATMALDH1A1KDM4ETLR4MTNR1A
SCHEMBL14519187 0.84 ALDH1A1 (0.50) ATMALDH1A1KDM4ETLR4MTNR1A
SCHEMBL27262653 0.83 ATM (0.56) ATMALDH1A1KDM4ETLR4MEN1
SCHEMBL22305186 0.80 KDM4E (0.33) ATMALDH1A1KDM4E

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-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2012-06-28 US disclosed
US-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2012-06-28 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-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS ETV6, CYP11B2, CYP11B1 ATM 3717/4885ALDH1A1 477/4885KDM4E 536/4885

“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.