SCHEMBL21725448

SCHEMBL21725448

CCCC(CC)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.55
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNH2 Q12809 4/20 0.37
CACNA1F O60840 1/20 0.37
CACNA1D Q01668 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37
LMNA P02545 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CYP3A4 P08684 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TMEM97 Q5BJF2 2/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL21725447 0.90 PDE2A (0.62) PDE2ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL26466884 0.83 PDE2A (0.62) PDE2ACYP3A4TAS1R3TAS1R1
SCHEMBL18638207 0.83 PDE2A (0.61) PDE2ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL22604241 0.80 GABRA2 (0.39) PDE2A
SCHEMBL22544367 0.79 PDE2A (0.50) PDE2ACYP1A2CYP2D6KCNH2CACNA1F
SCHEMBL22871117 0.79 PDE2A (0.43) PDE2ACYP1A2CYP2D6KCNH2CACNA1F
SCHEMBL26464699 0.79 PDE2A (0.43) PDE2ACYP1A2CYP2C9CYP2C19KCNH2
SCHEMBL18896301 0.79 PDE2A (0.65) PDE2ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL12735210 0.78 PDE2A (0.50) PDE2ACYP2D6CYP2C19KCNH2CYP3A4
SCHEMBL21725453 0.78 LMNA (0.48) LMNA

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-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
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-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R PDE2A 1206/4885CYP1A2 1383/4885CYP2D6 1931/4885
US-20210238164-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R PDE2A 1206/4885CYP1A2 1383/4885CYP2D6 1931/4885
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.