SCHEMBL6017337

SCHEMBL6017337

CCc1nc2cc(F)ccc2n1C1CC2CCC(C1)N2CCCSc1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 11/20 0.59
SLC6A3 Q01959 4/20 0.43
DRD2 P14416 3/20 0.43
SLC6A2 P23975 3/20 0.43
DRD3 P35462 3/20 0.43
HTR1A P08908 2/20 0.43
HTR2A P28223 2/20 0.43
SLC6A4 P31645 2/20 0.43
HTR7 P34969 2/20 0.43
HRH1 P35367 2/20 0.43
HTR2B P41595 2/20 0.43
TMEM97 Q5BJF2 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
DRD1 P21728 1/20 0.43
CCR5 P51681 2/20 0.40
GRM2 Q14416 1/20 0.39
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
PDE10A Q9Y233 1/20 0.36
DRD4 P21917 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
SCHEMBL6017254 0.91 CCR3 (0.49) CCR3SLC6A3DRD2SLC6A2DRD3
SCHEMBL6017065 0.89 CCR3 (0.75) CCR3SLC6A3DRD2SLC6A2DRD3
SCHEMBL6017180 0.88 CCR3 (0.54) CCR3SLC6A3DRD2SLC6A2DRD3
SCHEMBL6344442 0.86 CCR3 (0.54) CCR3SLC6A3DRD2SLC6A2DRD3
SCHEMBL3289951 0.85 CCR3 (0.79) CCR3DRD2DRD3HTR1AHTR2A
SCHEMBL3293907 0.76 CCR3 (0.65) CCR3DRD2DRD3HTR1AHTR2A
SCHEMBL5377784 0.74 CCR3 (1.00) CCR3DRD2DRD3HTR1AHTR2A
SCHEMBL6017132 0.74 CCR3 (0.38) CCR3SLC6A3DRD2SLC6A2DRD3
SCHEMBL6017398 0.72 CCR3 (0.59) CCR3SLC6A3DRD2SLC6A2DRD3
SCHEMBL3292500 0.71 CCR3 (0.74) CCR3PIK3CDPIK3CBPDE10A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648888-A1 N-(HETEROBICYCLOALKANES)-SUBSTITUTED INDOLES OR HETERODERIVATIVES THEREOF Boehringer Ingelheim International GmbH (DE) 2006-04-26 EP disclosed
US-20050014782-A1 Novel n-(heterobicycloalkanes)-substituted indoles-or heteroderivatives thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 US disclosed
WO-2005005425-A1 N-(HETEROBICYCLOALKANES)-SUBTITUTED INDOLES- OR HETERODERIVATIVES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 WO 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 1/4885SLC6A3 680/4885DRD2 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.