SCHEMBL5584820

SCHEMBL5584820

COC(=O)c1cc2c(OC[C@@H](O)CN3CCC(c4ccc5ccccc5c4)CC3)cccc2o1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.49
HTR1A P08908 6/20 0.48
SLC6A4 P31645 3/20 0.48
DRD2 P14416 2/20 0.47
KCNH2 Q12809 2/20 0.46
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
SCHEMBL14571534 0.92 HTR1A (0.49) DRD4HTR1ASLC6A4DRD2KCNH2
SCHEMBL5584673 0.92 HTR1A (0.51) DRD4HTR1ASLC6A4DRD2KCNH2
SCHEMBL5585062 0.91 HTR1A (0.48) DRD4HTR1ASLC6A4DRD2KCNH2
SCHEMBL5584396 0.91 DRD4 (0.51) DRD4HTR1ASLC6A4DRD2KCNH2
SCHEMBL5584144 0.90 HTR1A (0.48) DRD4HTR1ASLC6A4DRD2KCNH2
SCHEMBL5584366 0.90 HTR1A (0.48) DRD4HTR1ASLC6A4DRD2KCNH2
SCHEMBL5584505 0.89 DRD4 (0.46) DRD4HTR1ASLC6A4DRD2KCNH2
SCHEMBL5584916 0.88 HTR1A (0.47) DRD4HTR1ASLC6A4DRD2KCNH2
SCHEMBL5584962 0.88 ALDH1A1 (0.50) DRD4HTR1ASLC6A4DRD2KCNH2
SCHEMBL5584680 0.88 ALDH1A1 (0.50) DRD4HTR1ASLC6A4DRD2KCNH2

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 4 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
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US 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 (1 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 DRD4 42/4885HTR1A 1/4885SLC6A4 10/4885

“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.