SCHEMBL4775166

SCHEMBL4775166

Fc1cccc(CC2CCN(CCCNc3cccc(Cl)c3)CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.52
SLC6A4 P31645 3/20 0.52
CCR3 P51677 9/20 0.48
HTR2A P28223 3/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TMEM97 Q5BJF2 3/20 0.48

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 SCHEMBL7195395 0.99 SLC6A2 (0.51) SLC6A2SLC6A4CCR3HTR2AKDM4E
SCHEMBL4771086 0.90 CCR3 (0.59) SLC6A2SLC6A4CCR3HTR2A
Hydrochloric Acid SCHEMBL7184937 0.89 CCR3 (0.58) SLC6A2SLC6A4CCR3HTR2A
Hydrochloric Acid SCHEMBL6579916 0.89 SLC6A2 (0.62) SLC6A2SLC6A4CCR3HTR2AKDM4E
SCHEMBL4768459 0.85 CCR3 (0.46) SLC6A2SLC6A4CCR3HTR2A
Hydrochloric Acid SCHEMBL7193117 0.84 CCR3 (0.46) SLC6A2SLC6A4CCR3HTR2A
SCHEMBL4775126 0.83 CCR3 (0.56) SLC6A2SLC6A4CCR3HTR2AKDM4E
Hydrochloric Acid SCHEMBL7182254 0.82 CCR3 (0.55) SLC6A2SLC6A4CCR3HTR2AKDM4E
Hydrochloric Acid SCHEMBL4778068 0.80 CCR3 (0.58) SLC6A2SLC6A4CCR3HTR2ATMEM97
Hydrochloric Acid SCHEMBL7461751 0.78 TMEM97 (0.57) SLC6A2SLC6A4CCR3TMEM97

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 3 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

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 SLC6A2 459/4885SLC6A4 559/4885CCR3 3/4885

“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.