SCHEMBL6414774

SCHEMBL6414774

O=C(CO)N1CCCC(CCN2CCC(Cc3cc(Cl)ccc3Br)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.44
SLC6A4 P31645 12/20 0.44
KCNH2 Q12809 1/20 0.42
MCHR1 Q99705 1/20 0.42
EPHX2 P34913 1/20 0.41
CCR3 P51677 1/20 0.41
CACNA1I Q9P0X4 1/20 0.40
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
CYP2D6 P10635 2/20 0.37
HTR2A P28223 1/20 0.37
DRD3 P35462 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36

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
SCHEMBL6412370 0.94 SLC6A4 (0.43) HTR1ASLC6A4KCNH2MCHR1EPHX2
SCHEMBL6411288 0.91 HTR1A (0.46) HTR1ASLC6A4KCNH2MCHR1EPHX2
SCHEMBL6410945 0.91 HTR1A (0.48) HTR1ASLC6A4EPHX2CCR3CYP2D6
SCHEMBL6412448 0.90 HTR1A (0.48) HTR1ASLC6A4EPHX2CCR3CACNA1I
SCHEMBL6411987 0.89 HTR1A (0.45) HTR1ASLC6A4EPHX2CCR3CACNA1I
SCHEMBL6413305 0.87 HTR1A (0.45) HTR1ASLC6A4EPHX2CCR3CACNA1I
SCHEMBL6411456 0.87 HTR1A (0.43) HTR1ASLC6A4EPHX2CCR3CACNA1I
SCHEMBL6418900 0.87 HTR1A (0.49) HTR1ASLC6A4EPHX2CCR3CACNA1I
SCHEMBL6410412 0.86 HTR1A (0.56) HTR1ASLC6A4CCR3
SCHEMBL6417556 0.86 HTR1A (0.44) HTR1ASLC6A4KCNH2MCHR1EPHX2

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 2/4885KCNH2 1483/4885

“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.