SCHEMBL6418635

SCHEMBL6418635

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.46
SLC6A4 P31645 13/20 0.46
EPHX2 P34913 1/20 0.41
CYP2D6 P10635 2/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CCR3 P51677 1/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL6412448 0.94 HTR1A (0.48) HTR1ASLC6A4EPHX2CYP2D6CCR3
SCHEMBL6417556 0.92 HTR1A (0.44) HTR1ASLC6A4EPHX2CYP2D6KDM4E
SCHEMBL6413726 0.91 SLC6A4 (0.43) HTR1ASLC6A4EPHX2CYP2D6KDM4E
SCHEMBL6411147 0.91 DRD2 (0.44) HTR1ASLC6A4EPHX2CYP2D6KDM4E
SCHEMBL6417194 0.91 HTR1A (0.48) HTR1ASLC6A4EPHX2CYP2D6KDM4E
SCHEMBL6412370 0.91 SLC6A4 (0.43) HTR1ASLC6A4EPHX2CYP2D6KDM4E
SCHEMBL6412246 0.89 EPHX2 (0.46) HTR1ASLC6A4EPHX2CYP2D6KDM4E
SCHEMBL6412447 0.89 HTR1A (0.47) HTR1ASLC6A4EPHX2CYP2D6KDM4E
SCHEMBL6414057 0.89 HTR1A (0.50) HTR1ASLC6A4CYP2D6KDM4EALDH1A1
SCHEMBL6412565 0.89 SLC6A4 (0.42) HTR1ASLC6A4EPHX2CYP2D6KDM4E

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 2/4885EPHX2 1420/4885

“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.