SCHEMBL18769031

SCHEMBL18769031

CC(=O)CCCCn1cc(CCCCCCc2cn(CCCCC(C)=O)nn2)nn1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.59
GBA1 P04062 6/20 0.48
HDAC1 Q13547 7/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL18768800 0.98 EPHX2 (0.57) EPHX2GBA1HDAC1L3MBTL1
SCHEMBL24675920 0.94 EPHX2 (0.67) EPHX2GBA1HRH4HRH3
SCHEMBL17776313 0.94 EPHX2 (0.52) EPHX2GBA1HDAC1
SCHEMBL22423183 0.93 EPHX2 (0.54) EPHX2GBA1HDAC1L3MBTL1HRH4
SCHEMBL18768813 0.92 EPHX2 (0.51) EPHX2GBA1HDAC1
SCHEMBL19652938 0.92 EPHX2 (0.56) EPHX2GBA1HDAC1L3MBTL1HRH4
SCHEMBL19704892 0.91 EPHX2 (0.52) EPHX2GBA1HDAC1L3MBTL1HRH4
SCHEMBL24675933 0.91 EPHX2 (0.52) EPHX2GBA1HDAC1L3MBTL1HRH4
SCHEMBL17776310 0.90 EPHX2 (0.54) EPHX2GBA1HDAC1HRH4HRH3
SCHEMBL19704885 0.88 EPHX2 (0.48) EPHX2GBA1HDAC1

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-3922260-A2 INSULIN RECEPTOR PARTIAL AGONISTS AND GLP-1 ANALOGUES MERCK SHARP & DOHME CORP. (US) 2021-12-15 EP disclosed
EP-3666792-A2 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-06-17 EP disclosed
EP-3660041-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-06-03 EP disclosed
EP-3660040-A2 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-06-03 EP disclosed
US-20170355743-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-12-14 US disclosed
WO-2017205191-A1 INSULIN RECEPTOR PARTIAL AGONISTS AND GLP-1 ANALOGUES MERCK SHARP & DOHME CORP. (US) 2017-11-30 WO disclosed
US-20170107268-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-04-20 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 (2 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-20170355743-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 EPHX2 4126/4885GBA1 3427/4885HDAC1 3548/4885
US-20170107268-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 EPHX2 4126/4885GBA1 3427/4885HDAC1 3548/4885

“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.