SCHEMBL4077274

SCHEMBL4077274

CCC1CC(=O)C=CN1C(=O)OC(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.34
CYP2D6 P10635 1/20 0.33
ABHD10 Q9NUJ1 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
GPR119 Q8TDV5 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
P2RX7 Q99572 4/20 0.31
CETP P11597 1/20 0.31
P2RX4 Q99571 1/20 0.30
BCHE P06276 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
SCHEMBL13609104 0.84 ECE1 (0.32) ECE1CYP2D6
SCHEMBL760600 0.81 GLA (0.40) NFKB1NFKB2RELACETP
SCHEMBL4069068 0.81 TSHR (0.33) CYP2D6GPR119ALDH1A1TSHRSMN1; SMN2
SCHEMBL3950503 0.79 ALDH1A1 (0.33) CYP2D6GPR119ALDH1A1TSHRSMN1; SMN2
SCHEMBL17788017 0.79 NFKB1 (0.36) NFKB1NFKB2RELAALDH1A1SMN1; SMN2
SCHEMBL4069014 0.79 P2RX7 (0.34) NFKB1NFKB2RELAP2RX7
SCHEMBL3076603 0.75 PSEN1 (0.46) ALDH1A1SMN1; SMN2P2RX4
SCHEMBL13608919 0.71 ABHD10 (0.32) CYP2D6ABHD10GPR119P2RX4BCHE
SCHEMBL3941206 0.71 CETP (0.34) CYP2D6ABHD10GPR119ALDH1A1SMN1; SMN2
SCHEMBL4077289 0.71 CETP (0.34) CYP2D6ABHD10GPR119ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286790-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-11-19 US disclosed
US-20090286790-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-11-19 US disclosed
US-20090286790-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-11-19 US disclosed
WO-2008009435-A1 AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2008-01-24 WO 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-20090286790-A1 ORGANIC COMPOUNDS CETP, NPC1, CES1 ECE1 451/4885CYP2D6 482/4885ABHD10 353/4885

“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.