SCHEMBL5487869

SCHEMBL5487869

CCNC(=O)CN(Cc1ccc(Cl)cc1)C1CCN(CCC=C2C3=CC=CNC3=COc3ccc(C(C)(C)O)cc32)C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.33
▸ MCHR1 Q99705 2/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ NR1D1 P20393 1/20 0.30

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
SCHEMBL5487866 1.00 CCR1 (0.33) CCR1MCHR1KCNH2NR1D1
SCHEMBL1323469 0.86 CCR1 (0.35) CCR1MCHR1KCNH2
SCHEMBL1323470 0.86 CCR1 (0.35) CCR1MCHR1KCNH2
SCHEMBL18601633 0.85 CCR1 (0.34) CCR1MCHR1KCNH2
SCHEMBL18601634 0.85 CCR1 (0.34) CCR1MCHR1KCNH2
SCHEMBL1323820 0.83 CCR1 (0.35) CCR1NR1D1
SCHEMBL1323821 0.83 CCR1 (0.35) CCR1NR1D1
SCHEMBL6362657 0.79 CCR1 (0.38) CCR1KCNH2
SCHEMBL655274 0.79 CCR1 (0.56) CCR1MCHR1
SCHEMBL655273 0.79 CCR1 (0.56) CCR1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7271176-B2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-09-18 — — US disclosed
US-20050070549-A1 Chemokine receptor antagonists and methods of use thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-03-31 — — 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-20050070549-A1 Chemokine receptor antagonists and methods of use thereof ACKR3, CXCR2, CCL11 CCR1 4/4885MCHR1 260/4885KCNH2 4426/4885

“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.

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