SCHEMBL21725545

SCHEMBL21725545

CCC(CC)c1ccc(N(C)C)nc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.37
AR P10275 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NCF1 P14598 1/20 0.33
GAA P10253 1/20 0.31
PDE2A O00408 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
SCHEMBL21859736 0.86 CRHR1 (0.38) CRHR1ARCYP1A2CYP3A4ALOX15
SCHEMBL21725543 0.81 AR (0.40) CRHR1ARCYP1A2CYP3A4ALOX15
SCHEMBL22193256 0.80 AR (0.38) CRHR1ARCYP1A2CYP3A4ALOX15
SCHEMBL22193255 0.75 NCF1 (0.38) CRHR1ARCYP1A2CYP3A4ALOX15
SCHEMBL21725555 0.74 HPGD (0.36) MAPK1
SCHEMBL21725549 0.74 PDE10A (0.39) CRHR1TSHR
SCHEMBL25332545 0.70 CYP1A2 (0.37) ARCYP1A2CYP3A4ALOX15TSHR
SCHEMBL30469075 0.70 CYP1A2 (0.37) ARCYP1A2CYP3A4ALOX15TSHR
SCHEMBL30595652 0.70 NOTUM (0.38) CRHR1ARCYP1A2CYP3A4ALOX15
SCHEMBL21725539 0.67 HPGD (0.33) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-10562884-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R CRHR1 15/4885AR 413/4885CYP1A2 1383/4885

“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.