SCHEMBL14811446

SCHEMBL14811446

CCOC(=O)c1cc2n(c1)CCc1cc(OC)c(C(=O)N3CCOCC3)cc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ PDE7A Q13946 2/20 0.42
▸ PDE3A Q14432 2/20 0.42
▸ PDE10A Q9Y233 2/20 0.42
▸ BRD9 Q9H8M2 4/20 0.41
▸ GLA P06280 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ BRD7 Q9NPI1 2/20 0.39
▸ CECR2 Q9BXF3 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8486452 0.84 KCNK3 (0.57) KCNK3ALDH1A1KDM4EGLAHPGD
SCHEMBL14811913 0.81 KCNK3 (0.48) KCNK3ALDH1A1KDM4EGAAHPGD
SCHEMBL14812701 0.81 KCNK3 (0.48) KCNK3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14813035 0.81 KCNK3 (0.48) KCNK3ALDH1A1KDM4ELMNATSHR
SCHEMBL18932675 0.79 KCNK3 (0.48) KCNK3ALDH1A1KDM4EGAAHPGD
SCHEMBL14813041 0.78 KCNK3 (0.45) KCNK3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14812851 0.78 KCNK3 (0.50) KCNK3ALDH1A1KDM4EGLAHPGD
SCHEMBL18932931 0.75 CA12 (0.43) KCNK3ALDH1A1KDM4EHPGDMAPK1
SCHEMBL14812728 0.75 KCNK3 (0.43) KCNK3ALDH1A1KDM4EGLAGAA
SCHEMBL14813051 0.75 KCNK3 (0.46) KCNK3ALDH1A1KDM4EGLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10155259-B2 FSH receptor antagonists MERCK SHARP & DOHME B.V. (NL) 2018-12-18 — — US disclosed
US-20150329545-A1 FSH RECEPTOR ANTAGONISTS MERCK SHARP & DOHME B.V. (NL) 2015-11-19 — — US disclosed
US-9127007-B2 FSH receptor antagonists MERCK SHARP & DOHME B.V. (NL) 2015-09-08 — — US disclosed
US-20140350043-A1 FSH RECEPTOR ANTAGONISTS MERCK SHARP & DOHME B.V. (NL) 2014-11-27 — — US disclosed
EP-2763986-A1 FSH RECEPTOR ANTAGONISTS Merck Sharp & Dohme B.V. (NL) 2014-08-13 — — EP disclosed
WO-2013041458-A1 FSH RECEPTOR ANTAGONISTS MSD OSS B.V. (NL) 2013-03-28 — — 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 (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-20140350043-A1 FSH RECEPTOR ANTAGONISTS FSHR, GNRHR, LHCGR KCNK3 902/4885ALDH1A1 2864/4885KDM4E 2291/4885
US-10155259-B2 FSH receptor antagonists FSHR, GNRHR, LHCGR KCNK3 1027/4885ALDH1A1 2522/4885KDM4E 2291/4885
US-20150329545-A1 FSH RECEPTOR ANTAGONISTS FSHR, GNRHR, LHCGR KCNK3 1027/4885ALDH1A1 2522/4885KDM4E 2291/4885

“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.

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