SCHEMBL394272

SCHEMBL394272

CCOC(=O)C1(CCC(C)C)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
MEN1 O00255 9/20 0.39
KMT2A Q03164 9/20 0.39
ALDH1A1 P00352 8/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL398929 0.87 PKLR (0.42) MEN1KMT2AALDH1A1MAPTALOX15
SCHEMBL415499 0.87 MEN1 (0.42) MAPK1MEN1KMT2AALDH1A1LMNA
SCHEMBL6187331 0.86 CYP4F2 (0.46) MAPK1MEN1KMT2AALDH1A1LMNA
SCHEMBL1440150 0.85 MEN1 (0.41) MAPK1MEN1KMT2AALDH1A1LMNA
SCHEMBL7443750 0.85 CYP4F2 (0.45) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6186611 0.85 MEN1 (0.41) MAPK1MEN1KMT2AALDH1A1LMNA
SCHEMBL963907 0.84 USP2 (0.47) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL2795230 0.84 CYP4F2 (0.53) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL336548 0.84 MAPK1 (0.54) MAPK1MEN1KMT2AALDH1A1LMNA
SCHEMBL7309006 0.83 USP2 (0.43) MEN1KMT2AALDH1A1CYP4F2CYP4A11

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-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
EP-2408745-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2012-01-25 EP disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 US disclosed
WO-2010106081-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-23 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-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HTR3A, OPRL1, OPRK1 MAPK1 2085/4885MEN1 4869/4885KMT2A 1488/4885

“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.