SCHEMBL2185229

SCHEMBL2185229

CC(C)(C)OC(=O)C1(Cc2ccc(F)cc2)CCN(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
ALDH1A1 P00352 8/20 0.40
P4HB P07237 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
KDM1A O60341 1/20 0.38
HSD11B1 P28845 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL1003120 0.90 LMNA (0.50) CYP4F2CYP4A11LMNAKMT2AMEN1
SCHEMBL1003394 0.89 MEN1 (0.50) CYP4F2CYP4A11LMNAKMT2AMEN1
SCHEMBL2375444 0.88 LMNA (0.44) CYP4F2CYP4A11LMNAKMT2AMEN1
SCHEMBL23851410 0.87 KMT2A (0.43) LMNAKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL2374888 0.87 GPR119 (0.41) CYP4F2CYP4A11LMNAKMT2AMEN1
SCHEMBL9313155 0.87 CTSS (0.39) CYP4F2CYP4A11LMNAKMT2AMEN1
SCHEMBL2373659 0.86 PKM (0.52) CYP4F2CYP4A11LMNAKMT2AMEN1
SCHEMBL5674705 0.84 PKM (0.53) KMT2AMEN1CNR1CNR2KDM1A
SCHEMBL2185224 0.84 KDM1A (0.46) KMT2AMEN1CNR1CNR2KDM1A
SCHEMBL3355644 0.82 KMT2A (0.52) LMNAKMT2AMEN1ALDH1A1L3MBTL1

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-2346848-B1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-02-27 EP disclosed
US-8318749-B2 Quinazoline derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-11-27 US disclosed
EP-2346848-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-07-27 EP disclosed
US-20100125078-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-05-20 US disclosed
WO-2010054968-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 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-20100125078-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS SLC6A3, OPRK1, HTR3A CYP4F2 2339/4885CYP4A11 1592/4885LMNA 4496/4885

“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.