SCHEMBL23717586

SCHEMBL23717586

CCCC(C)c1ccc(NC)nc1C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
MCHR1 Q99705 2/20 0.31
NCF1 P14598 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
SCHEMBL21725531 0.88 ALDH1A1 (0.33) ALDH1A1CYP1A2CYP3A4CYP2C19MCHR1
SCHEMBL21725529 0.81 NCF1 (0.36) ALDH1A1CYP1A2CYP3A4CYP2C19MCHR1
SCHEMBL23717592 0.79 MCHR1 (0.37) MCHR1
SCHEMBL21725548 0.78 PDE10A (0.40)
SCHEMBL23251413 0.78 HPGD (0.35)
SCHEMBL22193256 0.77 AR (0.38) CYP1A2CYP3A4MCHR1NCF1
SCHEMBL22193274 0.75 CACNA1C (0.39)
SCHEMBL21725463 0.73 IDH1 (0.36)
SCHEMBL22871165 0.72 NCF1 (0.39) ALDH1A1CYP1A2CYP3A4CYP2C19MCHR1
SCHEMBL23717826 0.71 SCN5A (0.44) ALDH1A1CYP1A2CYP3A4CYP2C19MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2023-01-31 US disclosed
US-20210238164-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2021-08-05 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-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R ALDH1A1 2977/4885CYP1A2 1383/4885CYP3A4 2798/4885
US-20210238164-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R ALDH1A1 2977/4885CYP1A2 1383/4885CYP3A4 2798/4885

“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.