SCHEMBL1447993

SCHEMBL1447993

Cc1c[c]ccc1NC(=O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
CETP P11597 1/20 0.44
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
KDM4E B2RXH2 2/20 0.39
HTT P42858 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL2900637 0.88 L3MBTL1 (0.47) L3MBTL1CETPPDK1PDK2PDK3
SCHEMBL6205970 0.80 ALDH1A1 (0.55) HTTMAPTALDH1A1NPC1RAB9A
SCHEMBL2897809 0.78 MEN1 (0.48) L3MBTL1CETPPDK1PDK2PDK3
SCHEMBL28316733 0.78 PDK1 (0.46) L3MBTL1CETPPDK1PDK2PDK3
SCHEMBL11323383 0.77 ALDH1A1 (0.50) L3MBTL1KDM4EHTTTP53MAPT
SCHEMBL2900503 0.77 KDM4E (0.48) L3MBTL1CETPPDK1PDK2PDK3
SCHEMBL1447712 0.76 MDM4 (0.46) L3MBTL1CETPKDM4ETP53MAPT
SCHEMBL397003 0.74 PDK1 (0.67) L3MBTL1CETPPDK1PDK2PDK3
SCHEMBL54917 0.74 L3MBTL1 (0.75) L3MBTL1HTTMAPTALDH1A1NPC1
SCHEMBL5366507 0.72 PDK1 (0.44) L3MBTL1PDK1PDK2PDK3PDK4

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
WO-2011030139-A1 4- (PYRIMIDIN-2-YL) -PIPERAZINE AND 4- (PYRIMIDIN-2-YL) -PIPERIDINE DERIVATIVES AS GPR119 MODULATORS ASTRAZENECA AB (SE) 2011-03-17 WO disclosed
US-20110065706-A1 Therapeutic Agents 812 ASTRAZENECA AB (SE) 2011-03-17 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-20110065706-A1 Therapeutic Agents 812 GPR119, GPR84, GPR132 L3MBTL1 4882/4885CETP 1390/4885PDK1 3541/4885

“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.