SCHEMBL21725447

SCHEMBL21725447

CCC(CC)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 9/20 0.62
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNH2 Q12809 2/20 0.38
MRGPRX4 Q96LA9 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
FFAR1 O14842 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL21725448 0.90 PDE2A (0.55) PDE2ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL12735210 0.87 PDE2A (0.50) PDE2ACYP2D6CYP2C19KCNH2NPSR1
SCHEMBL18896301 0.84 PDE2A (0.65) PDE2ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL15156685 0.83 PDE2A (0.58) PDE2ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2629463 0.79 PDE2A (0.73) PDE2ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL18638207 0.78 PDE2A (0.61) PDE2ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6644323 0.77 PDE2A (0.65) PDE2ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL18075371 0.76 PDE2A (1.00) PDE2ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL21180451 0.76 PDE2A (0.69) PDE2ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL20072514 0.76 PDE2A (0.69) PDE2ACYP1A2CYP2D6CYP2C9CYP2C19

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 PDE2A 1206/4885CYP1A2 1383/4885CYP2D6 1931/4885

“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.