SCHEMBL4768459

SCHEMBL4768459

Fc1ccc(CC2CCN(CCCNc3cccc(Cl)c3)CC2)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 13/20 0.46
HTR2A P28223 5/20 0.46
SLC6A4 P31645 3/20 0.43
SLC6A2 P23975 2/20 0.43
GPR6 P46095 1/20 0.42
DRD2 P14416 1/20 0.41
HTR2C P28335 1/20 0.41
KCNH2 Q12809 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
HTR1A P08908 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
Hydrochloric Acid SCHEMBL7193117 0.99 CCR3 (0.46) CCR3HTR2ASLC6A4SLC6A2GPR6
SCHEMBL4775126 0.89 CCR3 (0.56) CCR3HTR2ASLC6A4SLC6A2DRD2
Hydrochloric Acid SCHEMBL7182254 0.88 CCR3 (0.55) CCR3HTR2ASLC6A4SLC6A2DRD2
SCHEMBL4771086 0.86 CCR3 (0.59) CCR3HTR2ASLC6A4SLC6A2
SCHEMBL4775166 0.85 SLC6A2 (0.52) CCR3HTR2ASLC6A4SLC6A2
Hydrochloric Acid SCHEMBL7184937 0.85 CCR3 (0.58) CCR3HTR2ASLC6A4SLC6A2
Hydrochloric Acid SCHEMBL7195395 0.84 SLC6A2 (0.51) CCR3HTR2ASLC6A4SLC6A2
Hydrochloric Acid SCHEMBL6579916 0.81 SLC6A2 (0.62) CCR3HTR2ASLC6A4SLC6A2
SCHEMBL6330741 0.76 CCR3 (0.79) CCR3HTR2A
SCHEMBL6774779 0.75 CCR3 (0.79) CCR3HTR2ASLC6A4SLC6A2

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-7348324-B2 Cyclic amine compounds as CCR5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-03-25 US disclosed
EP-1886994-A1 Cyclic amine compounds as CCR5 antagonists Takeda Pharmaceutical Company Limited (JP) 2008-02-13 EP disclosed
US-20030114443-A1 Cyclic amine compounds as CCR5 antagonists TOBIRA THERAPEUTICS, INC. 2003-06-19 US disclosed
EP-1220842-A1 CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2002-07-10 EP disclosed
WO-2001025200-A1 CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-12 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-20030114443-A1 Cyclic amine compounds as CCR5 antagonists CCR5, CCR1, CCR3 CCR3 3/4885HTR2A 629/4885SLC6A4 559/4885

“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.