SCHEMBL6416092

SCHEMBL6416092

O=C1NC(CN2CCC(Cc3cc(Cl)ccc3Br)CC2)CN1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.41
HTR1A P08908 10/20 0.41
SLC6A2 P23975 2/20 0.39
ATM Q13315 2/20 0.38
ACHE P22303 1/20 0.38
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 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 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
SCHEMBL6410143 0.92 SLC6A4 (0.41) SLC6A4HTR1ASLC6A2ATMACHE
SCHEMBL6411104 0.90 SLC6A4 (0.44) SLC6A4HTR1ASLC6A2ACHENOS3
SCHEMBL6417645 0.90 SLC6A4 (0.41) SLC6A4HTR1ASLC6A2ATMACHE
SCHEMBL6413050 0.88 SLC6A4 (0.41) SLC6A4HTR1AATM
SCHEMBL6416465 0.86 HTR1A (0.58) SLC6A4HTR1A
SCHEMBL6415354 0.85 SLC6A4 (0.44) SLC6A4HTR1ASLC6A2ATMACHE
SCHEMBL6614632 0.85 SLC6A4 (0.40) SLC6A4HTR1ASLC6A2ATMACHE
SCHEMBL6417415 0.85 SLC6A4 (0.44) SLC6A4HTR1ASLC6A2ACHE
SCHEMBL6411075 0.84 HTR1A (0.47) SLC6A4HTR1A
SCHEMBL6412596 0.83 HTR1A (0.47) SLC6A4HTR1A

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 1/4885SLC6A2 3/4885

“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.