SCHEMBL25923258

SCHEMBL25923258

COc1cnc(C(C)(C)CCC(C)(C)c2ccc(C3CC3)nc2)nc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 8/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
DGAT1 O75907 1/20 0.31
KDM5A P29375 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
SCHEMBL25943367 0.78 CNR2 (0.43) DRD3GPR119
SCHEMBL19251290 0.75 CNR2 (0.46)
SCHEMBL27064600 0.74 CNR2 (0.41) GPR119
SCHEMBL10086343 0.74 DRD2 (0.46) PDE10ADRD2DRD4DRD3KDM5A
SCHEMBL23054209 0.73 NOTUM (0.36) ADORA2AADORA2BGPR119DGAT1
SCHEMBL22778802 0.73 CNR2 (0.48)
SCHEMBL12459121 0.70 NOTUM (0.40) ADORA2AADORA2BGPR119DGAT1
Cyanide SCHEMBL27956499 0.70 DRD2 (0.44) PDE10ADRD2DRD4DRD3KDM5A
SCHEMBL19464707 0.69 ALDH1A1 (0.32)
SCHEMBL13141206 0.68 NOTUM (0.36) ADORA2AADORA2BGPR119

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-20230226074-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-07-20 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-20230226074-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS SLC40A1, HAMP, SLC19A1 PDE10A 3407/4885DRD2 3875/4885DRD4 4081/4885

“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.