SCHEMBL3577301

SCHEMBL3577301

CCOC(=O)CC1CCC(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PKM P14618 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TAS2R14 Q9NYV8 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 1/20 0.46
EGFR P00533 2/20 0.45
MAPK1 P28482 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL18971854 1.00 MEN1 (0.51) MEN1KMT2APKMNPSR1TAS2R14
SCHEMBL3577297 1.00 MEN1 (0.51) MEN1KMT2APKMNPSR1TAS2R14
SCHEMBL24405180 0.85 ALDH1A1 (0.48) MEN1KMT2APKMNPSR1LMNA
SCHEMBL25295156 0.85 TAS2R14 (0.46) MEN1KMT2APKMNPSR1TAS2R14
SCHEMBL13226911 0.85 ALDH1A1 (0.50) MEN1KMT2APKMNPSR1LMNA
SCHEMBL13553615 0.85 ALDH1A1 (0.49) PKMNPSR1TAS2R14LMNAHPGD
SCHEMBL18211216 0.85 ALDH1A1 (0.49) KMT2APKMLMNATDP1HPGD
SCHEMBL30325030 0.84 TDP1 (0.47) MEN1KMT2ATDP1MAPK1
SCHEMBL4143101 0.83 ALDH1A1 (0.59) KMT2ALMNATDP1MAPK1NPC1
SCHEMBL280126 0.83 FABP7 (0.58) KMT2APKMLMNATDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3388423-B1 NK1 RECEPTOR ANTAGONIST KISSEI PHARMACEUTICAL (JP) 2020-05-27 EP disclosed
US-10399949-B2 NK1 receptor antagonist KISSEI PHARMACEUTICAL CO., LTD. (JP) 2019-09-03 US disclosed
US-20190002414-A1 NK1 RECEPTOR ANTAGONIST KISSEI PHARMACEUTICAL CO., LTD. (JP) 2019-01-03 US disclosed
EP-3388423-A1 NK1 RECEPTOR ANTAGONIST Kissei Pharmaceutical Co., Ltd. (JP) 2018-10-17 EP disclosed
EP-1973889-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-08-24 EP disclosed
US-7781426-B2 cholesterol ester transfer protein (CETP) inhibitors such as (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(3,3-dimethylpiperidin-1-yl)-5-(trifluoromethyl)benzyl]-4-methyl-1,3-oxazolidin-2-one, useful for raising HDL-cholesterol, reducing LDL-cholesterol, and for treating or preventing atherosclerosis MERCK SHARP & DOHME CORP. (US) 2010-08-24 US disclosed
US-20090075979-A1 CETP Inhibitors MERCK SHARP & DOHME LLC 2009-03-19 US 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 (3 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-20090075979-A1 CETP Inhibitors CETP, APOB, MTTP MEN1 3533/4885KMT2A 1880/4885PKM 1860/4885
US-20190002414-A1 NK1 RECEPTOR ANTAGONIST TACR1, TACR2, GRPR MEN1 721/4885KMT2A 277/4885PKM 2013/4885
US-10399949-B2 NK1 receptor antagonist TACR1, TACR2, GRPR MEN1 721/4885KMT2A 277/4885PKM 2013/4885

“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.