SCHEMBL14688917

SCHEMBL14688917

CC(C)(C)C1CNCC(NC(=O)O)C1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.35
CHRNB2 P17787 4/20 0.34
CHRNA4 P43681 4/20 0.34
CHRNA7 P36544 2/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
SSTR4 P31391 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL25265151 0.82 CHRNB2 (0.31) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL15873299 0.82 CHRNB2 (0.31) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL2692907 0.82 CHRNB2 (0.31) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL30301462 0.82 CHRNB2 (0.31) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL26633375 0.81 EPHX1 (0.41) EPHX1EPHX2
SCHEMBL26633380 0.81 EPHX1 (0.41) EPHX1EPHX2
SCHEMBL25263000 0.80 CHRNB2 (0.39) EPHX1CHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL2186225 0.76 CHRNB2 (0.33) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL477253 0.76
SCHEMBL25189379 0.76 CHRNB2 (0.37) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3

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
US-11559515-B2 Indole compounds and analogues thereof BIOCRYST PHARMACEUTICALS, INC. (US) 2023-01-24 US disclosed
US-9434725-B2 5-azaindazole compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2016-09-06 US disclosed
US-9260415-B2 Heteroaryl pyridone and aza-pyridone compounds with electrophilic functionality GENENTECH, INC. (US) 2016-02-16 US disclosed
US-20150158846-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS WITH ELECTROPHILIC FUNCTIONALITY GENENTECH, INC. (US) 2015-06-11 US disclosed
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 US disclosed
US-20140005168-A1 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE GENENTECH,INC. 2014-01-02 US disclosed
US-20130039906-A1 PYRAZOLO[3,4-c]PYRIDINE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-02-14 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 (5 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-20130039906-A1 PYRAZOLO[3,4-c]PYRIDINE COMPOUNDS AND METHODS OF USE PIM1, PIM3, PIM2 EPHX1 3870/4885CHRNB2 3970/4885CHRNA4 3753/4885
US-20140005168-A1 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE PIM1, PIM3, PIM2 EPHX1 3922/4885CHRNB2 3202/4885CHRNA4 2869/4885
US-11559515-B2 Indole compounds and analogues thereof C5, IDO1, IDO2 EPHX1 2352/4885CHRNB2 3335/4885CHRNA4 3921/4885
US-20150158846-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS WITH ELECTROPHILIC FUNCTIONALITY BTK, TYK2, LCK EPHX1 2247/4885CHRNB2 2844/4885CHRNA4 2708/4885
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B EPHX1 1663/4885CHRNB2 3164/4885CHRNA4 3868/4885

“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.