SCHEMBL5584904

SCHEMBL5584904

O=C(c1cc2c(OCC(O)CN3CCC(c4ccc5ccccc5c4)CC3)cccc2s1)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTR1A P08908 14/20 0.49
SLC6A4 P31645 6/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44

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
SCHEMBL5585109 1.00 POLB (0.50) POLBCYP1A2CYP2C19HTR1ASLC6A4
SCHEMBL5585013 0.93 HTR1A (0.51) HTR1ASLC6A4DRD2DRD4
SCHEMBL5584878 0.93 HTR1A (0.51) HTR1ASLC6A4DRD2DRD4
SCHEMBL14571520 0.86 HTR1A (0.43) CYP1A2CYP2C19HTR1ASLC6A4
SCHEMBL5584872 0.85 HTR1A (0.51) HTR1ASLC6A4DRD2DRD4
SCHEMBL5584934 0.85 HTR1A (0.51) HTR1ASLC6A4DRD2DRD4
SCHEMBL5584976 0.84 CYP1A2 (0.51) POLBCYP1A2CYP2C19HTR1ASLC6A4
SCHEMBL5584282 0.84 CYP1A2 (0.51) POLBCYP1A2CYP2C19HTR1ASLC6A4
SCHEMBL5584259 0.84 POLB (0.52) POLBCYP1A2CYP2C19SMN1; SMN2
SCHEMBL5584544 0.84 POLB (0.52) POLBCYP1A2CYP2C19SMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP claimed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US claimed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US claimed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 EP claimed
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 POLB 2060/4885CYP1A2 473/4885CYP2C19 402/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A POLB 2060/4885CYP1A2 473/4885CYP2C19 402/4885

“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.