SCHEMBL5584635

SCHEMBL5584635

CON(C)C(=O)c1cc2cccc(OC[C@@H](O)CN3CCC(c4ccc5ccccc5c4)CC3)c2o1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.44
DRD4 P21917 4/20 0.44
HTR1A P08908 5/20 0.44
SLC6A4 P31645 2/20 0.44
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
DRD2 P14416 2/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL5584573 0.93 KCNH2 (0.46) KCNH2DRD4HTR1ASLC6A4ADRB2
SCHEMBL5584484 0.93 KCNH2 (0.46) KCNH2DRD4HTR1ASLC6A4ADRB2
SCHEMBL5584505 0.89 DRD4 (0.46) KCNH2DRD4HTR1ASLC6A4DRD2
SCHEMBL5584319 0.88 KCNH2 (0.51) KCNH2DRD4HTR1ASLC6A4DRD2
SCHEMBL5584992 0.86 KCNH2 (0.46) KCNH2DRD4HTR1ASLC6A4ADRB2
SCHEMBL14571508 0.86 HTR1A (0.46) KCNH2DRD4HTR1ASLC6A4ADRB2
SCHEMBL5584259 0.83 POLB (0.52) KCNH2ADRB2ADRB1ADRB3POLB
SCHEMBL6236958 0.83 HTR1A (0.46) KCNH2DRD4HTR1ASLC6A4ADRB2
SCHEMBL5584544 0.83 POLB (0.52) KCNH2ADRB2ADRB1ADRB3POLB
SCHEMBL5584147 0.83 HTR1A (0.49) DRD4HTR1ASLC6A4DRD2

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 KCNH2 251/4885DRD4 42/4885HTR1A 1/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A KCNH2 251/4885DRD4 42/4885HTR1A 1/4885

“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.