SCHEMBL6413333

SCHEMBL6413333

O=C1OCC(CN2CCC(Cc3cc(Cl)ccc3Br)CC2)CN1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.40
SLC6A4 P31645 11/20 0.40
GRM2 Q14416 2/20 0.38
SLC6A2 P23975 2/20 0.38
SIGMAR1 Q99720 2/20 0.37
ATM Q13315 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2D6 P10635 2/20 0.35

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
SCHEMBL6411813 0.94 HTR1A (0.43) HTR1ASLC6A4SIGMAR1HTTCYP2D6
SCHEMBL6417957 0.91 SLC6A4 (0.42) HTR1ASLC6A4SLC6A2CYP2D6
SCHEMBL6410408 0.90 SLC6A4 (0.42) HTR1ASLC6A4GRM2SLC6A2SIGMAR1
SCHEMBL6416475 0.89 SLC6A4 (0.44) HTR1ASLC6A4SIGMAR1ATM
SCHEMBL6412828 0.88 HTR1A (0.51) HTR1ASLC6A4SIGMAR1
SCHEMBL6414442 0.87 SLC6A4 (0.41) HTR1ASLC6A4SIGMAR1CYP2D6
SCHEMBL6411046 0.86 SLC6A4 (0.56) HTR1ASLC6A4
SCHEMBL6411180 0.86 HTR1A (0.43) HTR1ASLC6A4SLC6A2SIGMAR1ATM
SCHEMBL6415199 0.86 GRM2 (0.49) HTR1ASLC6A4GRM2SLC6A2SIGMAR1
SCHEMBL6411111 0.85 SLC6A4 (0.46) HTR1ASLC6A4SLC6A2CYP2D6

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 2/4885GRM2 97/4885

“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.