SCHEMBL4069068

SCHEMBL4069068

CC(C)OC(=O)N1C=CC(=O)CC1C

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
P2RX4 Q99571 1/20 0.32
CYP2D6 P10635 1/20 0.32
BCHE P06276 1/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA7 P43166 2/20 0.31
CA9 Q16790 2/20 0.31
CA14 Q9ULX7 2/20 0.31
GPR119 Q8TDV5 1/20 0.31
P2RX7 Q99572 6/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL3950503 0.83 ALDH1A1 (0.33) TSHRALDH1A1SMN1; SMN2P2RX4CYP2D6
SCHEMBL5470339 0.82 TSHR (0.44) TSHRALDH1A1P2RX7
SCHEMBL4077274 0.81 ECE1 (0.34) TSHRALDH1A1SMN1; SMN2P2RX4CYP2D6
SCHEMBL758730 0.79 NFKB1 (0.42) GPR119
SCHEMBL13609104 0.76 ECE1 (0.32) CYP2D6
SCHEMBL19765489 0.76 NOTUM (0.35) P2RX7
SCHEMBL12488873 0.76 P2RX7 (0.34) P2RX7
SCHEMBL4756495 0.75 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2P2RX7
SCHEMBL8658861 0.72 HTR2C (0.53) SMN1; SMN2P2RX4
SCHEMBL13608919 0.69 ABHD10 (0.32) P2RX4CYP2D6BCHEGPR119

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 TSHR 1637/4885ALDH1A1 1701/4885SMN1; SMN2 3911/4885

“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.