SCHEMBL20733703

SCHEMBL20733703

c1ccc(CSc2ccc(C3CCCCO3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
KCNH2 Q12809 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
LTA4H P09960 2/20 0.39
SLC6A4 P31645 1/20 0.39
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.37
PDE8B O95263 1/20 0.36
RAB9A P51151 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL19127644 1.00 MAOA (0.42) MAOAMAOBKCNH2HRH3LTA4H
SCHEMBL19126911 1.00 MAOA (0.42) MAOAMAOBKCNH2HRH3LTA4H
SCHEMBL15196506 0.96 MAOA (0.43) MAOAMAOBKCNH2HRH3LTA4H
SCHEMBL19126901 0.83 APP (0.51) MAOAMAOBKCNH2HRH3SLC6A4
SCHEMBL18215382 0.78 TSHR (0.54) KCNH2HRH3SLC6A4ALDH1A1SMN1; SMN2
SCHEMBL28416 0.78 TSHR (0.54) KCNH2HRH3SLC6A4ALDH1A1SMN1; SMN2
SCHEMBL18388973 0.78 TSHR (0.54) KCNH2HRH3SLC6A4ALDH1A1SMN1; SMN2
SCHEMBL509503 0.77 MAOA (0.47) MAOAMAOBLTA4HSLC6A4MEN1
SCHEMBL1266842 0.76 TSHR (0.52) KCNH2HRH3SLC6A4ALDH1A1SMN1; SMN2
SCHEMBL23483031 0.75 PRKAG1 (0.44) MAOBKCNH2HRH3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174603-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME RAPPTA THERAPEUTICS OY (FI) 2024-05-30 US disclosed
EP-4288412-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME Rappta Therapeutics Oy (FI) 2023-12-13 EP disclosed
WO-2022167866-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME RAPPTA THERAPEUTICS OY (FI) 2022-08-11 WO disclosed
CN-108884093-B Dopamine D3 ligand compound 辉瑞公司 2021-07-09 CN disclosed
US-20190047997-A1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-d]AZEPINE DOPAMINE D3 LIGANDS PFIZER INC. (US) 2019-02-14 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 (2 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-20240174603-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME PPM1A, PPP2CA, PPP3CA MAOA 1405/4885MAOB 1594/4885KCNH2 4623/4885
US-20190047997-A1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-d]AZEPINE DOPAMINE D3 LIGANDS DRD3, DRD2, DRD4 MAOA 94/4885MAOB 103/4885KCNH2 1426/4885

“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.