SCHEMBL3589528

SCHEMBL3589528

c1csc(CCc2ccsc2)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.62
DRD3 P35462 2/20 0.62
TAAR1 Q96RJ0 2/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
HCAR3 P49019 1/20 0.42
ADRA2A P08913 3/20 0.42
ADRA2B P18089 3/20 0.42
ADRA2C P18825 3/20 0.42
HRH3 Q9Y5N1 2/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2C9 P11712 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL10525275 0.82 DRD2 (0.51) DRD2DRD3TAAR1PTGS1PTGS2
SCHEMBL2030841 0.80 TAAR1 (0.71) TAAR1PTGS1PTGS2ADRA2AADRA2B
SCHEMBL8671494 0.80 TAAR1 (0.71) DRD2DRD3TAAR1NPC1HDAC6
SCHEMBL721007 0.77 TAAR1 (0.56) TAAR1PTGS1PTGS2ADRA2AADRA2B
SCHEMBL28985382 0.75 TAAR1 (0.54) TAAR1PTGS1PTGS2ADRA2AADRA2B
SCHEMBL4059254 0.74 TAAR1 (0.58) DRD2DRD3TAAR1SMN1; SMN2
SCHEMBL2886837 0.73 TAAR1 (0.52) TAAR1PTGS1PTGS2ADRA2AADRA2B
SCHEMBL7878372 0.73 DRD2 (0.48) DRD2DRD3TAAR1HCAR3ADRA2A
SCHEMBL28449371 0.72 TAAR1 (0.50) TAAR1PTGS1PTGS2ADRA2AADRA2B
SCHEMBL7705346 0.72 MEN1 (0.51) TAAR1PTGS1PTGS2TSHRNPC1

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
EP-0237917-A2 1,1-Disubstituted cyclopropane derivatives, processes for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-09-23 EP claimed
US-20100010020-A1 PHOSPHODIESTERASE 4 INHIBITORS LIU RUIPING 2010-01-14 US disclosed
EP-0237917-A2 1,1-Disubstituted cyclopropane derivatives, processes for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-09-23 EP 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-20100010020-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A DRD2 2997/4885DRD3 2788/4885TAAR1 1215/4885

“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.