SCHEMBL4777958

SCHEMBL4777958

Fc1ccc(CC2CCN(CCNc3ccc(Cl)c(Cl)c3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.49
CCR3 P51677 11/20 0.48
TMEM97 Q5BJF2 1/20 0.48
GMNN O75496 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
THPO P40225 1/20 0.46
MTOR P42345 1/20 0.46
BLM P54132 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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 SCHEMBL7185877 0.99 CCR5 (0.48) CCR5CCR3TMEM97GMNNTP53
SCHEMBL4775648 0.93 CCR3 (0.54) CCR5CCR3
Hydrochloric Acid SCHEMBL6056734 0.92 CCR3 (0.53) CCR5CCR3
Hydrochloric Acid SCHEMBL7186874 0.92 CCR3 (0.53) CCR5CCR3
SCHEMBL4770891 0.84 CCR3 (0.54) CCR3
Hydrochloric Acid SCHEMBL7192828 0.83 CCR3 (0.53) CCR3
SCHEMBL4775599 0.82 TMEM97 (0.60) CCR3TMEM97
Hydrochloric Acid SCHEMBL6056639 0.81 TMEM97 (0.59) CCR3TMEM97
Hydrochloric Acid SCHEMBL7187539 0.81 TMEM97 (0.59) CCR3TMEM97
SCHEMBL4776592 0.81 CCR3 (0.57) CCR5CCR3

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 CCR5 1/4885CCR3 3/4885TMEM97 1672/4885

“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.