SCHEMBL5584237

SCHEMBL5584237

C(=Cc1ccccc1OC[C@@H]1CO1)c1nc2ccccc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ MEN1 O00255 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ ATP4A P20648 14/20 0.41
▸ ATP4B P51164 14/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 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
SCHEMBL5584578 1.00 SNCA (0.44) SNCAALDH1A1GLAMEN1MAPT
SCHEMBL10573815 0.79 SNCA (0.49) SNCAALDH1A1MEN1MAPTKMT2A
SCHEMBL10573824 0.79 SNCA (0.49) SNCAALDH1A1MEN1MAPTKMT2A
SCHEMBL10574914 0.78 ATP4A (0.49) SNCAALDH1A1MEN1MAPTKMT2A
SCHEMBL10574901 0.78 ATP4A (0.49) SNCAALDH1A1MEN1MAPTKMT2A
SCHEMBL8116649 0.78 ALDH1A1 (0.51) ALDH1A1GLAMEN1MAPTKMT2A
SCHEMBL11273467 0.78 ALDH1A1 (0.51) ALDH1A1GLAMEN1MAPTKMT2A
SCHEMBL8051619 0.76 ALDH1A1 (0.48) ALDH1A1GLAMEN1MAPTKMT2A
SCHEMBL7680302 0.75 ATP4A (0.45) MEN1MAPTKMT2ARAB9ATDP1
SCHEMBL10619184 0.75 SNCA (0.65) SNCAALDH1A1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 — — US disclosed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 — — EP disclosed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 — — US disclosed
US-6720320-B2 ANTISEROTONINE AGENTS MITSUBISHI PHARMA CORPORATION (JP) 2004-04-13 — — US disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 — — US disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 — — 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 (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-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A SNCA 1374/4885ALDH1A1 443/4885GLA 3730/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A SNCA 1374/4885ALDH1A1 443/4885GLA 3730/4885

“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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