SCHEMBL17998802

SCHEMBL17998802

CC(C)c1ccc(C2CN(O)C2)cn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.39
ACACB O00763 7/20 0.36
PROKR1 Q8TCW9 1/20 0.36
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
S1PR3 Q99500 1/20 0.31
PANK3 Q9H999 1/20 0.30

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
SCHEMBL10255547 0.85 CHRNA7 (0.40) CHRNA7ACACBPROKR1S1PR3
SCHEMBL14242977 0.80 CHRNA7 (0.43) CHRNA7ACACBKDM4EGLAHTT
SCHEMBL18013015 0.77 CHRNB2 (0.39) ACACBKDM4EGLAHTTKMT2A
SCHEMBL24496044 0.77 KDM4E (0.44) CHRNA7ACACBPROKR1KDM4EGLA
SCHEMBL14580442 0.77 KDM4E (0.47) CHRNA7ACACBPROKR1KDM4EGLA
SCHEMBL14925549 0.77 MAP3K12 (0.38) CHRNA7
SCHEMBL23114399 0.76 SLC6A2 (0.38) CHRNA7PROKR1
SCHEMBL15274603 0.76 CHRNA7 (0.40) CHRNA7S1PR3
SCHEMBL24746034 0.76 CHRNA7 (0.43) CHRNA7S1PR3
SCHEMBL11951665 0.76 KDM4E (0.50) CHRNA7PROKR1KDM4EGLAHTT

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-20180071286-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS GENENTECH, INC. (US) 2018-03-15 US disclosed
US-20180071286-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS GENENTECH, INC. (US) 2018-03-15 US disclosed
US-9782405-B2 Heteroaryl pyridone and aza-pyrodine compounds GENENTECH, INC. (US) 2017-10-10 US disclosed
US-9782405-B2 Heteroaryl pyridone and aza-pyrodine compounds GENENTECH, INC. (US) 2017-10-10 US disclosed
US-20160228432-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS GENENTECH, INC. (US) 2016-08-11 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-20160228432-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS TYK2, BTK, PDXK CHRNA7 2446/4885ACACB 3758/4885PROKR1 2158/4885
US-20180071286-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS TYK2, BTK, PDXK CHRNA7 2446/4885ACACB 3758/4885PROKR1 2158/4885

“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.