SCHEMBL31068655

SCHEMBL31068655

Cn1cnc2ccc(OCc3ccccc3)nc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.48
PKM P14618 2/20 0.48
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR1A P08908 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
GRM5 P41594 3/20 0.41
CYP1A2 P05177 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CDK1 P06493 1/20 0.41
DYRK1A Q13627 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HRH4 Q9H3N8 2/20 0.40

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
SCHEMBL2194786 0.81 PDE10A (0.70) PDE10APKMHTR3EHTR3BHTR1A
SCHEMBL2194911 0.79 PDE10A (0.51) PDE10APKMHTR3EHTR3BHTR1A
SCHEMBL2191698 0.79 PDE10A (0.60) PDE10APKMHTR3EHTR3BHTR1A
SCHEMBL31068637 0.78 CYP1A2 (0.66) CYP1A2ALDH1A1TSHRCLK4
SCHEMBL7837376 0.77 PKM (0.46) PDE10APKMHTR3EHTR3BHTR1A
SCHEMBL2195321 0.76 PDE10A (0.60) PDE10AHTR3EHTR3BHTR1AHTR3A
SCHEMBL29663746 0.76 PDE10A (0.48) PDE10AGRM5DYRK1A
SCHEMBL734408 0.76 PDE10A (0.48) PDE10AGRM5DYRK1A
SCHEMBL7823038 0.75 RHEB (0.54) PKMHTR3EHTR3BHTR1AHTR3A
SCHEMBL2195431 0.75 CDK1 (0.47) PDE10AHTR3EHTR3BHTR1AHTR3A

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-20240254114-A1 PREPARATION OF FUSED AZOLE DERIVATIVES AS NOVEL DIACYLGLYCERIDE 0-ACYLTRANSFERASE 2 INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-08-01 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-20240254114-A1 PREPARATION OF FUSED AZOLE DERIVATIVES AS NOVEL DIACYLGLYCERIDE 0-ACYLTRANSFERASE 2 INHIBITORS DGAT2, DGAT1, ACAT2 PDE10A 1852/4885PKM 1077/4885HTR3E 4478/4885

“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.