Sugi Predict

Sugi Predict / Compounds / SCHEMBL3106820

SCHEMBL3106820

SCHEMBL3106820

C[C@H]1C(=O)NCC2(CC2)C(=O)N1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ ELANE P08246 1/20 0.39
▸ EHMT2 Q96KQ7 1/20 0.39
▸ SMO Q99835 2/20 0.39
▸ LMNA P02545 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CACNA1G O43497 2/20 0.37
▸ CACNA1H O95180 2/20 0.37
▸ CACNA1I Q9P0X4 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ OPRL1 P41146 1/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 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
SCHEMBL1508846 0.78 KMT2A (0.50) KMT2AELANEEHMT2SMOLMNA
SCHEMBL22661866 0.78 KMT2A (0.50) KMT2AELANEEHMT2SMOLMNA
SCHEMBL1508950 0.78 KMT2A (0.50) KMT2AELANEEHMT2SMOLMNA
SCHEMBL21563349 0.76 GSK3A (0.53) KMT2AEHMT2SMOMEN1GSK3A
SCHEMBL21563281 0.76 GSK3A (0.53) KMT2AEHMT2SMOMEN1GSK3A
SCHEMBL13297796 0.75 EHMT2 (0.49) KMT2AELANEEHMT2SMOLMNA
SCHEMBL2900230 0.73 GSK3A (0.43) KMT2AEHMT2SMOMEN1GSK3A
SCHEMBL2900232 0.73 GSK3A (0.43) KMT2AEHMT2SMOMEN1GSK3A
SCHEMBL25590783 0.71 GAA (0.40) KMT2AELANEEHMT2SMOLMNA
SCHEMBL4597179 0.68 EHMT2 (0.49) KMT2AEHMT2SMOMEN1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362009-B2 Substituted diazepan orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-01-29 — — US disclosed
US-8362009-B2 Substituted diazepan orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-01-29 — — US disclosed
US-8362009-B2 Substituted diazepan orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-01-29 — — US disclosed
EP-2214676-B1 SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-11-21 — — EP disclosed
US-20100256121-A1 SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-10-07 — — US disclosed
US-20100256121-A1 SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-10-07 — — US disclosed
US-20100256121-A1 SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-10-07 — — US disclosed
WO-2009058238-A1 SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2009-05-07 — — 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-20100256121-A1 SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR KMT2A 707/4885ELANE 2768/4885EHMT2 758/4885

“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.