SCHEMBL6409996

SCHEMBL6409996

CN1C(=O)N(Cc2ccccc2)CC1CN1CCC(Cc2cc(F)ccc2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.46
SLC6A4 P31645 2/20 0.46
ATM Q13315 4/20 0.43
ALDH1A1 P00352 2/20 0.43
CCR3 P51677 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DPP4 P27487 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KDM4E B2RXH2 1/20 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
ACHE P22303 1/20 0.38

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
SCHEMBL6411821 0.93 HTR1A (0.46) HTR1ASLC6A4ATMALDH1A1CCR3
SCHEMBL6418767 0.91 SLC6A4 (0.48) HTR1ASLC6A4ATMALDH1A1CCR3
SCHEMBL6410588 0.90 HTR1A (0.46) HTR1ASLC6A4ATMCCR3
SCHEMBL6417450 0.87 HTR1A (0.64) HTR1ASLC6A4CCR3MEN1KMT2A
SCHEMBL6418814 0.86 SLC6A4 (0.43) HTR1ASLC6A4ATMALDH1A1MEN1
SCHEMBL6418328 0.86 SLC6A4 (0.52) HTR1ASLC6A4ATMALDH1A1CCR3
SCHEMBL6615215 0.85 SLC6A4 (0.45) HTR1ASLC6A4ATMALDH1A1CCR3
SCHEMBL6416250 0.85 HTR1A (0.52) HTR1ASLC6A4ATMALDH1A1CCR3
SCHEMBL6411812 0.83 SLC6A4 (0.48) HTR1ASLC6A4ATMALDH1A1CCR3
SCHEMBL6412511 0.83 HTR1A (0.46) HTR1ASLC6A4ATMCCR3SIGMAR1

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 2/4885ATM 4128/4885

“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.