SCHEMBL4776592

SCHEMBL4776592

COc1ccc(NCCCN2CCC(Cc3ccc(F)cc3)CC2)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 10/20 0.57
HTR2A P28223 2/20 0.57
ABCB1 P08183 1/20 0.51
CCR5 P51681 1/20 0.51
HTR1A P08908 1/20 0.49
SLC6A4 P31645 1/20 0.49
DUSP3 P51452 1/20 0.48
PTPN5 P54829 1/20 0.48
PTPN11 Q06124 1/20 0.48
KMT2A Q03164 1/20 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 SCHEMBL7198141 0.99 CCR3 (0.56) CCR3HTR2AABCB1CCR5HTR1A
SCHEMBL4768345 0.90 CCR3 (0.53) CCR3HTR2AKMT2A
Hydrochloric Acid SCHEMBL7186719 0.89 CCR3 (0.52) CCR3HTR2AKMT2A
SCHEMBL4770891 0.88 CCR3 (0.54) CCR3HTR2A
SCHEMBL4775648 0.87 CCR3 (0.54) CCR3HTR2ACCR5
Hydrochloric Acid SCHEMBL7192828 0.87 CCR3 (0.53) CCR3HTR2A
Hydrochloric Acid SCHEMBL6056734 0.86 CCR3 (0.53) CCR3HTR2ACCR5
Hydrochloric Acid SCHEMBL7186874 0.86 CCR3 (0.53) CCR3HTR2ACCR5
Hydrochloric Acid SCHEMBL4771833 0.83 CCR3 (0.50) CCR3HTR2A
SCHEMBL4777958 0.81 CCR5 (0.49) CCR3CCR5

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 629/4885ABCB1 973/4885

“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.