SCHEMBL5584366

SCHEMBL5584366

CN(C)C(=O)c1cc2c(OCC(O)CN3CCC(c4ccc5ccccc5c4)CC3)cccc2o1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.48
SLC6A4 P31645 3/20 0.48
DRD4 P21917 7/20 0.47
DRD2 P14416 2/20 0.46
KCNH2 Q12809 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 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
SCHEMBL5584144 1.00 HTR1A (0.48) HTR1ASLC6A4DRD4DRD2KCNH2
SCHEMBL5584505 0.93 DRD4 (0.46) HTR1ASLC6A4DRD4DRD2KCNH2
SCHEMBL5584916 0.92 HTR1A (0.47) HTR1ASLC6A4DRD4DRD2KCNH2
SCHEMBL5584673 0.91 HTR1A (0.51) HTR1ASLC6A4DRD4DRD2KCNH2
SCHEMBL5584396 0.90 DRD4 (0.51) HTR1ASLC6A4DRD4DRD2KCNH2
SCHEMBL5584820 0.90 DRD4 (0.49) HTR1ASLC6A4DRD4DRD2KCNH2
SCHEMBL5585062 0.89 HTR1A (0.48) HTR1ASLC6A4DRD4DRD2KCNH2
SCHEMBL5584484 0.89 KCNH2 (0.46) HTR1ASLC6A4DRD4DRD2KCNH2
SCHEMBL5584573 0.89 KCNH2 (0.46) HTR1ASLC6A4DRD4DRD2KCNH2
SCHEMBL14571534 0.88 HTR1A (0.49) HTR1ASLC6A4DRD4DRD2KCNH2

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 HTR1A 1/4885SLC6A4 10/4885DRD4 42/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A HTR1A 1/4885SLC6A4 10/4885DRD4 42/4885

“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.