SCHEMBL3950503

SCHEMBL3950503

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

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PIK3CD O00329 2/20 0.32
P2RX4 Q99571 1/20 0.31
CYP2D6 P10635 1/20 0.31
BCHE P06276 1/20 0.31
GPR119 Q8TDV5 2/20 0.30
P2RX7 Q99572 5/20 0.30
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA7 P43166 2/20 0.30
CA9 Q16790 2/20 0.30
CA14 Q9ULX7 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
SCHEMBL3943561 0.84 NR1H2 (0.40) ALDH1A1GPR119
SCHEMBL4069068 0.83 TSHR (0.33) ALDH1A1TSHRSMN1; SMN2P2RX4CYP2D6
SCHEMBL4077274 0.79 ECE1 (0.34) ALDH1A1TSHRSMN1; SMN2P2RX4CYP2D6
SCHEMBL13609104 0.75 ECE1 (0.32) CYP2D6
SCHEMBL4039249 0.69 P2RX4 (0.32) ALDH1A1TSHRSMN1; SMN2P2RX4CYP2D6
SCHEMBL4039245 0.69 P2RX4 (0.32) ALDH1A1TSHRSMN1; SMN2P2RX4CYP2D6
SCHEMBL13624018 0.65 PIK3CD (0.45) ALDH1A1SMN1; SMN2PIK3CDP2RX7
SCHEMBL13608919 0.65 ABHD10 (0.32) P2RX4CYP2D6BCHEGPR119
SCHEMBL5470339 0.65 TSHR (0.44) ALDH1A1TSHRP2RX7
SCHEMBL758730 0.62 NFKB1 (0.42) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049517-B1 AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2013-11-27 EP disclosed
CN-101490035-B Amino-piperidine derivatives as CETP inhibitors NOVARTIS AG 2013-02-13 CN 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
US-20090286790-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-11-19 US disclosed
CN-101490035-A Amino-piperidine derivatives as CETP inhibitors NOVARTIS AG (CH) 2009-07-22 CN disclosed
EP-2049517-A1 AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS Novartis AG (CH) 2009-04-22 EP disclosed
WO-2008009435-A1 AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2008-01-24 WO 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 ALDH1A1 1701/4885TSHR 1637/4885SMN1; 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.