SCHEMBL29671594

SCHEMBL29671594

c1ccc(C2CCCN(c3cscn3)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.47
▸ PDE3A Q14432 1/20 0.44
▸ DRD2 P14416 1/20 0.43
▸ DRD1 P21728 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ DRD5 P21918 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ ROCK2 O75116 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ CDC42BPB Q9Y5S2 1/20 0.42
▸ BTK Q06187 1/20 0.42
▸ PRKDC P78527 1/20 0.42
▸ GBA1 P04062 1/20 0.41
▸ NR3C1 P04150 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.40
▸ NPC1 O15118 3/20 0.39
▸ CYP1A2 P05177 3/20 0.39
▸ CYP2C9 P11712 3/20 0.39

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
SCHEMBL29671509 0.92 NPC1 (0.46) HRH3DRD2NR3C1NPC1CYP1A2
SCHEMBL29671544 0.82 DHFR (0.46) HRH3DRD2DRD4DRD3NPC1
SCHEMBL2725262 0.77 FFAR4 (0.56) HRH3PDE3ADRD2DRD1DRD4
SCHEMBL22795084 0.71 ALDH1A1 (0.46) HRH3ROCK2ROCK1CDC42BPBGBA1
SCHEMBL22795449 0.71 ALDH1A1 (0.46) HRH3ROCK2ROCK1CDC42BPBGBA1
SCHEMBL22795445 0.71 ALDH1A1 (0.46) HRH3ROCK2ROCK1CDC42BPBGBA1
SCHEMBL29676576 0.71 ALDH1A1 (0.46) HRH3ROCK2ROCK1CDC42BPBGBA1
SCHEMBL6234347 0.71 ROCK2 (0.49) PDE3ADRD2DRD3ROCK2ROCK1
SCHEMBL11922648 0.71 HRH3 (0.40) HRH3NPC1CYP1A2RAB9AMAPT
SCHEMBL29671571 0.71 MAPT (0.52) DRD4NPC1RAB9AMAPTSMN1; SMN2

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-20220153732-A1 PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2022-05-19 — — 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-20220153732-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G HRH3 4540/4885PDE3A 1946/4885DRD2 4602/4885

“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.

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