SCHEMBL6409807

SCHEMBL6409807

CC(C)Oc1ccc(Cl)c(CC2CCN(CC3Oc4ccccc4NC3=O)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.44
SLC6A4 P31645 3/20 0.44
CYP2D6 P10635 1/20 0.44
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
HRH1 P35367 2/20 0.38
CCR3 P51677 2/20 0.38
MAPK1 P28482 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6411269 0.91 HTR1A (0.54) HTR1ASLC6A4ALDH1A1HPGDHSD17B10
SCHEMBL6413303 0.90 SLC6A4 (0.50) HTR1ASLC6A4CYP2D6ALDH1A1HPGD
SCHEMBL6420392 0.85 HTR1A (0.45) HTR1ASLC6A4CYP2D6MAPTHRH1
SCHEMBL6417854 0.84 HTR1A (0.47) HTR1ASLC6A4CYP2D6HRH1CCR3
SCHEMBL6418290 0.83 HTR1A (0.46) HTR1ASLC6A4CYP2D6HRH1CCR3
SCHEMBL6416193 0.82 HTR1A (0.44) HTR1ASLC6A4CYP2D6HRH1CCR3
SCHEMBL6411815 0.82 HTR1A (0.53) HTR1ASLC6A4CYP2D6ALDH1A1KMT2A
SCHEMBL6417559 0.80 HTR1A (0.54) HTR1ASLC6A4HSD17B10KMT2AMEN1
SCHEMBL6410154 0.79 HTR1A (0.44) HTR1ASLC6A4CYP2D6KMT2AMEN1
SCHEMBL6411828 0.79 HTR1A (0.49) HTR1ASLC6A4CYP2D6HRH1CCR3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065140-A1 Serotonine reuptake inhibitor SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2005-03-24 US disclosed
EP-1466901-A1 SEROTONINE REUPTAKE INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-10-13 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 (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-20050065140-A1 Serotonine reuptake inhibitor HTR1A, SLC6A4, SLC6A2 HTR1A 1/4885SLC6A4 2/4885CYP2D6 323/4885

“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.