SCHEMBL6411591

SCHEMBL6411591

O=C1OC(CN2CCC(Cc3cc(Cl)ccc3Cl)CC2)CN1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
ATM Q13315 2/20 0.45
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR1A P08908 5/20 0.44
SLC6A4 P31645 3/20 0.44
SIGMAR1 Q99720 5/20 0.43
SLC6A2 P23975 2/20 0.42
CCR3 P51677 2/20 0.42
ACHE P22303 1/20 0.39
HTR2B P41595 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
SCHEMBL6410904 0.90 ATM (0.43) ALDH1A1ATMKDM4EGLAGAA
SCHEMBL6417687 0.90 HTR1A (0.44) ALDH1A1ATMKDM4EGLAGAA
SCHEMBL6411962 0.88 HTR1A (0.61) HTR1ASLC6A4SIGMAR1ACHE
SCHEMBL6411017 0.88 CCR3 (0.40) HTR1ASLC6A4SIGMAR1CCR3HTR2B
SCHEMBL6418448 0.86 HTR1A (0.50) ALDH1A1ATMKDM4EL3MBTL1HTR1A
SCHEMBL6411207 0.86 HTR1A (0.49) ALDH1A1ATMHTR1ASLC6A4SIGMAR1
SCHEMBL6416995 0.85 ALDH1A1 (0.44) ALDH1A1ATMKDM4EGLAGAA
SCHEMBL6414789 0.85 GRM2 (0.51) SLC6A4SIGMAR1SLC6A2CCR3
SCHEMBL6413054 0.85 CCR3 (0.40) GAAL3MBTL1HTR1ASLC6A4SIGMAR1
SCHEMBL6414736 0.81 ALDH1A1 (0.46) ALDH1A1ATMKDM4EGLAGAA

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 ALDH1A1 828/4885ATM 4128/4885KDM4E 2249/4885

“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.