SCHEMBL4074294

SCHEMBL4074294

CC(C)OC(=O)N1[C@H](C)CC(=O)C[C@@H]1C

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
TSHR P16473 3/20 0.34
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTR2C P28335 1/20 0.33
P2RX4 Q99571 1/20 0.33
CYP2D6 P10635 1/20 0.33
BCHE P06276 1/20 0.33
GPR119 Q8TDV5 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
BRD4 O60885 1/20 0.31
MAPK1 P28482 1/20 0.31
THRB P10828 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 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
SCHEMBL4074595 1.00 ALDH1A1 (0.34) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL4074592 1.00 ALDH1A1 (0.34) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL16468333 0.80 PHGDH (0.40) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL13738462 0.80 MAPK1 (0.41) MEN1KMT2AGPR119SMN1; SMN2MAPK1
SCHEMBL4039249 0.80 P2RX4 (0.32) ALDH1A1TSHRP2RX4CYP2D6BCHE
SCHEMBL4039245 0.80 P2RX4 (0.32) ALDH1A1TSHRP2RX4CYP2D6BCHE
SCHEMBL4077289 0.77 CETP (0.34) ALDH1A1MEN1KMT2AP2RX4CYP2D6
SCHEMBL3941206 0.77 CETP (0.34) ALDH1A1MEN1KMT2AP2RX4CYP2D6
SCHEMBL4424420 0.77 RECQL (0.46) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL13321385 0.77 RECQL (0.46) ALDH1A1TSHRKDM4EMEN1KMT2A

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 5 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
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 ALDH1A1 1701/4885TSHR 1637/4885KDM4E 2161/4885

“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.