SCHEMBL6344442

SCHEMBL6344442

Fc1ccc(SCCCN2C3CCC2CC(n2c(C4CC4)nc4cc(F)ccc42)C3)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 10/20 0.54
HTR1A P08908 6/20 0.44
DRD2 P14416 6/20 0.44
HTR2A P28223 6/20 0.44
DRD3 P35462 6/20 0.44
HTR7 P34969 4/20 0.44
HTR2B P41595 4/20 0.44
SIGMAR1 Q99720 3/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
HRH1 P35367 2/20 0.44
SLC6A3 Q01959 2/20 0.44
TMEM97 Q5BJF2 2/20 0.44
DRD1 P21728 2/20 0.44
GRM2 Q14416 1/20 0.40
CCR5 P51681 1/20 0.39
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
DRD5 P21918 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
SCHEMBL6017180 0.88 CCR3 (0.54) CCR3HTR1ADRD2HTR2ADRD3
SCHEMBL6017337 0.86 CCR3 (0.59) CCR3HTR1ADRD2HTR2ADRD3
SCHEMBL6017065 0.85 CCR3 (0.75) CCR3HTR1ADRD2HTR2ADRD3
SCHEMBL6017254 0.78 CCR3 (0.49) CCR3HTR1ADRD2HTR2ADRD3
SCHEMBL3289951 0.71 CCR3 (0.79) CCR3HTR1ADRD2HTR2ADRD3
SCHEMBL5742427 0.71 CCR3 (0.76) CCR3HTR1ADRD2HTR2ADRD3
SCHEMBL6017085 0.71 CCR3 (0.44) CCR3SLC6A2SLC6A4SLC6A3CYP11B1
SCHEMBL5383638 0.70 CCR3 (0.74) CCR3HTR1ADRD2HTR2ADRD3
SCHEMBL5377784 0.70 CCR3 (1.00) CCR3HTR1ADRD2HTR2ADRD3
SCHEMBL6017398 0.68 CCR3 (0.59) CCR3DRD2DRD3HTR2BSLC6A2

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-20050014782-A1 Novel n-(heterobicycloalkanes)-substituted indoles-or heteroderivatives thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 US disclosed
EP-1496058-A1 Novel N-(heterobicycloalkanes)-substituted Indoles or heteroderivatives thereof Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-01-12 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-20050014782-A1 Novel n-(heterobicycloalkanes)-substituted indoles-or heteroderivatives thereof CCR3, CCR1, CCRL2 CCR3 1/4885HTR1A 157/4885DRD2 465/4885

“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.