SCHEMBL6417645

SCHEMBL6417645

O=C1NC(CN2CCC(Cc3cc(Cl)ccc3Cl)CC2)CN1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.41
HTR1A P08908 1/20 0.41
CCR3 P51677 1/20 0.41
SLC6A2 P23975 3/20 0.40
ALDH1A1 P00352 3/20 0.39
ATM Q13315 2/20 0.39
ACHE P22303 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DRD2 P14416 1/20 0.37
P2RX7 Q99572 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6419380 0.92 SLC6A4 (0.41) SLC6A4HTR1ACCR3SLC6A2ALDH1A1
SCHEMBL6410440 0.90 P2RX7 (0.42) SLC6A4HTR1AALDH1A1ATMDRD2
SCHEMBL6416092 0.90 SLC6A4 (0.41) SLC6A4HTR1ASLC6A2ALDH1A1ATM
SCHEMBL6416130 0.88 HTR1A (0.58) SLC6A4HTR1AMEN1KMT2A
SCHEMBL6411101 0.86 HTR1A (0.47) SLC6A4HTR1ACCR3ACHEMAPT
SCHEMBL6414264 0.85 HTR1A (0.46) SLC6A4HTR1ACCR3DRD2
SCHEMBL6414736 0.85 ALDH1A1 (0.46) SLC6A4HTR1ACCR3SLC6A2ALDH1A1
SCHEMBL6614326 0.84 SLC6A4 (0.42) SLC6A4HTR1ACCR3SLC6A2ALDH1A1
SCHEMBL6418660 0.82 P2RX7 (0.42) SLC6A4HTR1ACCR3ALDH1A1ATM
SCHEMBL6410143 0.82 SLC6A4 (0.41) SLC6A4HTR1ASLC6A2ALDH1A1ATM

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 SLC6A4 2/4885HTR1A 1/4885CCR3 4569/4885

“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.