SCHEMBL6413036

SCHEMBL6413036

Clc1ccc(Br)c(CC2CCN(CC3CNc4ccccc43)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.43
SLC6A4 P31645 13/20 0.43
F2 P00734 2/20 0.39
ATM Q13315 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 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
SCHEMBL6411689 0.88 SLC6A4 (0.42) HTR1ASLC6A4ATM
SCHEMBL6410129 0.85 HTR1A (0.58) HTR1ASLC6A4
SCHEMBL6411685 0.84 SLC6A4 (0.40) HTR1ASLC6A4ATMALDH1A1KDM4E
SCHEMBL6412012 0.83 HTR1A (0.49) HTR1ASLC6A4
SCHEMBL6416390 0.82 HTR1A (0.49) HTR1ASLC6A4
SCHEMBL6415030 0.80 HTR7 (0.44) HTR1ASLC6A4MAPT
SCHEMBL6416575 0.79 HTR1A (0.54) HTR1ASLC6A4
SCHEMBL6412656 0.78 SLC6A4 (0.46) HTR1ASLC6A4NOS3NOS1NOS2
SCHEMBL6418355 0.77 HTR1A (0.58) HTR1ASLC6A4
Hydrochloric Acid SCHEMBL6416813 0.76 HTR1A (0.42) HTR1ASLC6A4ATMALDH1A1KDM4E

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 2/4885F2 2281/4885

“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.