SCHEMBL30712013

SCHEMBL30712013

Fc1ccc(OC2CN(c3cc(Cl)c4c(n3)CCS4)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.44
SCN9A Q15858 11/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
LIPG Q9Y5X9 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ACACB O00763 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPK1 P28482 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL21130412 1.00 PDE4D (0.44) PDE4DSCN9AHTR2AHTR2CHTR2B
SCHEMBL21062018 0.83 PDE4D (0.41) PDE4DHSD17B10NPSR1MAPK1MEN1
SCHEMBL30712007 0.83 PDE4D (0.41) PDE4DHSD17B10NPSR1MAPK1MEN1
SCHEMBL23098518 0.76 PDE4D (0.43) PDE4DSCN9AHTR2AHTR2CHTR2B
SCHEMBL23084497 0.74 SCN9A (0.42) PDE4DSCN9AHTR2AHTR2CHTR2B
SCHEMBL21062072 0.73 PDE4D (0.39) PDE4DHSD17B10NPSR1MAPK1MEN1
SCHEMBL30712011 0.73 PDE4D (0.39) PDE4DHSD17B10NPSR1MAPK1MEN1
SCHEMBL2298279 0.72 SCN9A (0.50) PDE4DSCN9AHTR2AHTR2CHTR2B
SCHEMBL26968894 0.70 PDE4D (0.36) PDE4DSCN9AHTR2AHTR2CHTR2B
SCHEMBL26968848 0.69 PDE4D (0.51) PDE4DSCN9AHTR2AHTR2CHTR2B

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-20240400578-A1 SUBSTITUTED AZETIDINE DIHYDROTHIENOPYRIDINES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS UNION therapeutics A/S (DK) 2024-12-05 US disclosed
CN-111727191-B Substituted azetidine dihydro-thienopyridines and their use as phosphodiesterase inhibitors 联合疗法公司 2024-01-05 CN 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-20240400578-A1 SUBSTITUTED AZETIDINE DIHYDROTHIENOPYRIDINES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS PDE2A, PDE3A, PDE3B PDE4D 12/4885SCN9A 567/4885HTR2A 500/4885

“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.