SCHEMBL6414736

SCHEMBL6414736

O=C1NC(CN2CCC(Cc3cc(Cl)ccc3Cl)CC2)CN1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
ATM Q13315 2/20 0.46
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A4 P31645 4/20 0.45
HTR1A P08908 1/20 0.45
ACHE P22303 2/20 0.44
SLC6A2 P23975 3/20 0.43
CCR3 P51677 2/20 0.41
BCHE P06276 1/20 0.39
BACE1 P56817 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
TRPV4 Q9HBA0 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
KCNH2 Q12809 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
SCHEMBL6416394 0.92 ALDH1A1 (0.46) ALDH1A1ATMKDM4EGLAGAA
SCHEMBL6415354 0.90 SLC6A4 (0.44) ALDH1A1ATMKDM4EGLAGAA
SCHEMBL6410666 0.90 ATM (0.44) ALDH1A1ATMKDM4EGLAGAA
SCHEMBL6409968 0.88 HTR1A (0.62) SLC6A4HTR1AACHESIGMAR1
SCHEMBL6413344 0.86 HTR1A (0.51) ALDH1A1ATML3MBTL1SLC6A4HTR1A
SCHEMBL6412520 0.85 HTR1A (0.50) ALDH1A1ATMSLC6A4HTR1AACHE
SCHEMBL6417645 0.85 SLC6A4 (0.41) ALDH1A1ATMKDM4EGLAGAA
SCHEMBL6613622 0.84 ALDH1A1 (0.45) ALDH1A1ATMKDM4EGLAGAA
SCHEMBL6414760 0.82 ATM (0.44) ALDH1A1ATMKDM4EGLAGAA
SCHEMBL6412009 0.82 SLC6A4 (0.44) 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.