SCHEMBL685444

SCHEMBL685444

CC(C)(C)NC(Cc1ccc(N)cc1)C(=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MME P08473 2/20 0.38
▸ SOAT1 P35610 1/20 0.38
▸ ESRRG P62508 1/20 0.38
▸ ACE P12821 1/20 0.37
▸ ACE2 Q9BYF1 1/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ ADRB3 P13945 1/20 0.37
▸ ITGB1 P05556 1/20 0.35
▸ ITGA5 P08648 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LNPEP Q9UIQ6 1/20 0.35
▸ CYP24A1 Q07973 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ PPIB P23284 1/20 0.35
▸ PPIA P62937 1/20 0.35

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
SCHEMBL25454926 1.00 CA2 (0.39) CA2EPHX2RAB9ANPC1MME
SCHEMBL23974737 0.88 LOXL2 (0.40) MMEACEACE2ITGB1MAPT
SCHEMBL18995791 0.88 LOXL2 (0.40) MMEACEACE2ITGB1MAPT
SCHEMBL12250719 0.86 ESR1 (0.46) MMEACEACE2MAPTLNPEP
SCHEMBL26417010 0.86 ATM (0.43) RAB9ANPC1MMEACEACE2
SCHEMBL12250708 0.86 ESR1 (0.46) MMEACEACE2MAPTLNPEP
SCHEMBL13630710 0.86 ESR1 (0.46) MMEACEACE2MAPTLNPEP
SCHEMBL10061085 0.86 ATM (0.43) RAB9ANPC1MMEACEACE2
SCHEMBL12250692 0.86 ATM (0.43) RAB9ANPC1MMEACEACE2
SCHEMBL23065772 0.84 HDAC1 (0.45) RAB9ANPC1MME

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
US-8969288-B2 Amide based glucagon and superfamily peptide prodrugs INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-03-03 — — US disclosed
US-8778872-B2 Amide based glucagon superfamily peptide prodrugs INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2014-07-15 — — US disclosed
US-8729011-B2 — — 2014-05-20 — — US disclosed
US-20130123462-A1 AMIDE BASED GLUCAGON SUPERFAMILY PEPTIDE PRODRUGS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2013-05-16 — — US disclosed
US-20110288003-A1 AMIDE BASED GLUCAGON AND SUPERFAMILY PEPTIDE PRODRUGS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2011-11-24 — — 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-20130123462-A1 AMIDE BASED GLUCAGON SUPERFAMILY PEPTIDE PRODRUGS GCG, GLP1R, IAPP CA2 2791/4885EPHX2 1445/4885RAB9A 1991/4885
US-20110288003-A1 AMIDE BASED GLUCAGON AND SUPERFAMILY PEPTIDE PRODRUGS GCG, GLP1R, IAPP CA2 2760/4885EPHX2 1547/4885RAB9A 1940/4885

“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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