SCHEMBL6412246

SCHEMBL6412246

CCNC(=O)N1CCCC(CCCN2CCC(Cc3cc(Cl)ccc3Br)CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.46
SLC6A4 P31645 14/20 0.44
HTR1A P08908 13/20 0.44
CCR3 P51677 1/20 0.41
MCHR1 Q99705 1/20 0.40
SLC6A2 P23975 1/20 0.39
CYP2D6 P10635 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6412216 0.95 EPHX2 (0.47) EPHX2SLC6A4HTR1ACCR3CYP2D6
SCHEMBL6412916 0.90 HTR1A (0.48) EPHX2SLC6A4HTR1AMCHR1CYP2D6
SCHEMBL6418635 0.89 HTR1A (0.46) EPHX2SLC6A4HTR1ACCR3MCHR1
SCHEMBL6417556 0.89 HTR1A (0.44) EPHX2SLC6A4HTR1ACCR3MCHR1
SCHEMBL6417370 0.88 HTR1A (0.55) SLC6A4HTR1ACCR3KDM4EALDH1A1
SCHEMBL6417194 0.88 HTR1A (0.48) EPHX2SLC6A4HTR1ACCR3MCHR1
SCHEMBL6415205 0.87 HTR1A (0.50) SLC6A4HTR1ACCR3CYP2D6
SCHEMBL6413726 0.87 SLC6A4 (0.43) EPHX2SLC6A4HTR1ACCR3SLC6A2
SCHEMBL6411147 0.86 DRD2 (0.44) EPHX2SLC6A4HTR1ACCR3CYP2D6
SCHEMBL6412370 0.86 SLC6A4 (0.43) EPHX2SLC6A4HTR1ACCR3MCHR1

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 EPHX2 1420/4885SLC6A4 2/4885HTR1A 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.