SCHEMBL5584892

SCHEMBL5584892

CN(C)C(=O)c1sc2cc(OC[C@@H]3CO3)ccc2c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.50
ALDH1A1 P00352 8/20 0.49
MAPT P10636 7/20 0.49
GAA P10253 3/20 0.49
KDM4E B2RXH2 3/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 7/20 0.47
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
PRNP P04156 1/20 0.46
MAPK1 P28482 1/20 0.46
PPARG P37231 1/20 0.46
HTT P42858 1/20 0.46
MAPK10 P53779 1/20 0.46
NCOA2 Q15596 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NPC1 O15118 7/20 0.43
RAB9A P51151 7/20 0.43
HPGD P15428 5/20 0.43
POLB P06746 2/20 0.43

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
SCHEMBL5584694 0.80 MAPK1 (0.70) DYRK1AALDH1A1MAPTGAAKDM4E
SCHEMBL31120491 0.69 ALDH1A1 (0.50) ALDH1A1MAPTGAAKDM4ELMNA
SCHEMBL8412494 0.67 NPSR1 (0.74) DYRK1AALDH1A1MAPTGAAKDM4E
SCHEMBL5584205 0.67 HDAC3 (0.45) ALDH1A1KDM4ELMNASMN1; SMN2TSHR
SCHEMBL8414188 0.66 MAPT (1.00) DYRK1AALDH1A1MAPTGAAKDM4E
SCHEMBL3102501 0.65 RXFP1 (0.76) DYRK1AALDH1A1MAPTGAAKDM4E
SCHEMBL7279015 0.65 ALDH1A1 (0.59) ALDH1A1MAPTGAAKDM4ELMNA
SCHEMBL20854567 0.64 ALDH1A1 (0.62) ALDH1A1MAPTGAAKDM4ELMNA
SCHEMBL18382525 0.64 ALDH1A1 (0.62) ALDH1A1MAPTGAAKDM4ELMNA
SCHEMBL7336644 0.64 ALDH1A1 (0.62) ALDH1A1MAPTGAAKDM4ELMNA

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 8 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
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
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 DYRK1A 958/4885ALDH1A1 443/4885MAPT 949/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A DYRK1A 958/4885ALDH1A1 443/4885MAPT 949/4885

“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.