SCHEMBL5240929

SCHEMBL5240929

Fc1ccc(CN2CC3COCC2CN3Cc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.47
DRD4 P21917 1/20 0.45
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
BACE1 P56817 2/20 0.44
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL14439569 0.81 TLR7 (0.37) DRD4BCHEACHEBACE1
SCHEMBL5240088 0.81 DRD4 (0.48) SIGMAR1DRD4BCHEACHEBACE1
SCHEMBL6217467 0.75 SIGMAR1 (0.47) SIGMAR1
SCHEMBL11775261 0.74 SIGMAR1 (0.63) SIGMAR1
SCHEMBL636999 0.72 CHRM2 (0.58) SIGMAR1DRD4DRD2DRD3
SCHEMBL14439615 0.72 LTA4H (0.54) DRD4DRD2DRD3
SCHEMBL5595279 0.72 LTA4H (0.54) DRD4DRD2DRD3
SCHEMBL5595280 0.72 LTA4H (0.54) DRD4DRD2DRD3
SCHEMBL8805162 0.71 DRD4 (0.46) SIGMAR1DRD4DRD2DRD3
SCHEMBL2797370 0.71 DRD4 (0.44) DRD4BCHEACHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070196270-A1 Compounds As Ccri Antagonists HENG RICHARD 2007-08-23 US disclosed
US-20070196270-A1 Compounds As Ccri Antagonists HENG RICHARD 2007-08-23 US disclosed
US-20070196270-A1 Compounds As Ccri Antagonists HENG RICHARD 2007-08-23 US disclosed
EP-1794164-A2 BRIDGED PIPERAZINE AND PIPERIDINE DERIVATIVES AS CCR1 ANTAGONISTS Novartis AG (CH) 2007-06-13 EP disclosed
WO-2005103054-A2 BRIDGED PIPERAZINE AND PIPERIDINE DERIVATIVES AS CCRI ANTAGONISTS NOVARTIS AG (CH) 2005-11-03 WO 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-20070196270-A1 Compounds As Ccri Antagonists CCR1, CCR10, CCR4 SIGMAR1 543/4885DRD4 3131/4885BCHE 3586/4885

“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.