SCHEMBL21725546

SCHEMBL21725546

CCOc1ncncc1CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.36
AOC3 Q16853 2/20 0.34
SLC13A5 Q86YT5 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 1/20 0.32
NQO1 P15559 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
NOS3 P29474 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
SCHEMBL22293819 0.84 LMNA (0.35) CYP17A1AOC3SLC13A5KDM4EHPGD
SCHEMBL23143263 0.84 AOC3 (0.44) CYP17A1AOC3KDM4EHPGDSMN1; SMN2
SCHEMBL12259835 0.83 CYP17A1 (0.36) CYP17A1MEN1KMT2ALMNA
SCHEMBL29903734 0.83 CYP17A1 (0.36) CYP17A1MEN1KMT2ALMNA
SCHEMBL23143276 0.76 AOC3 (0.31) CYP17A1AOC3
SCHEMBL22339621 0.75 CYP17A1 (0.36) CYP17A1AOC3KDM4EMAPTHPGD
SCHEMBL10273189 0.75 CYP17A1 (0.39) CYP17A1AOC3KDM4EHPGDSMN1; SMN2
SCHEMBL3761271 0.75 AOC3 (0.38) CYP17A1AOC3KDM4EMAPTHPGD
SCHEMBL13363832 0.75 CYP17A1 (0.39) CYP17A1AOC3KDM4EHPGDSMN1; SMN2
SCHEMBL22574812 0.75 HPGD (0.40) CYP17A1AOC3KDM4EHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210002254-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2021-01-07 US disclosed
US-20200216415-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2020-07-09 US disclosed
US-10562884-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2020-02-18 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 (3 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-10562884-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R CYP17A1 1844/4885AOC3 1972/4885SLC13A5 3671/4885
US-20210002254-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R CYP17A1 1844/4885AOC3 1972/4885SLC13A5 3671/4885
US-20200216415-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R CYP17A1 1844/4885AOC3 1972/4885SLC13A5 3671/4885

“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.