SCHEMBL6411033

SCHEMBL6411033

CCNC(=O)N[C@H]1CC[C@H](CCCN2CCC(Cc3cc(F)ccc3Br)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 10/20 0.49
HTR1A P08908 2/20 0.44
SLC6A4 P31645 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HTR2A P28223 4/20 0.42
DRD3 P35462 3/20 0.42
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL6411030 1.00 CCR3 (0.49) CCR3HTR1ASLC6A4L3MBTL1HTR2A
SCHEMBL6410093 0.95 DRD3 (0.47) CCR3HTR1ASLC6A4L3MBTL1HTR2A
SCHEMBL6410096 0.95 DRD3 (0.47) CCR3HTR1ASLC6A4L3MBTL1HTR2A
SCHEMBL6410077 0.89 UBE2M (0.46) CCR3HTR1ASLC6A4HTR2ADRD3
SCHEMBL6410078 0.89 UBE2M (0.46) CCR3HTR1ASLC6A4HTR2ADRD3
SCHEMBL6411076 0.89 CHRM1 (0.49) HTR1ASLC6A4HTR2ADRD3CHRM1
SCHEMBL6411080 0.89 CHRM1 (0.49) HTR1ASLC6A4HTR2ADRD3CHRM1
SCHEMBL6417538 0.89 DRD3 (0.53) CCR3HTR1ASLC6A4HTR2ADRD3
SCHEMBL6417544 0.89 DRD3 (0.53) CCR3HTR1ASLC6A4HTR2ADRD3
SCHEMBL6410063 0.88 SLC6A4 (0.54) HTR1ASLC6A4

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

“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.