SCHEMBL1323469

SCHEMBL1323469

CCN(CCc1ccc(Cl)cc1)C1CCN(CC/C=C2\C3=CC=CNC3=COc3ccc(C(C)(C)O)cc32)C1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.35
▸ CHIT1 Q13231 2/20 0.33
▸ CHIA Q9BZP6 2/20 0.33
▸ MCHR1 Q99705 3/20 0.33
▸ KCNH2 Q12809 2/20 0.33

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
SCHEMBL1323470 1.00 CCR1 (0.35) CCR1CHIT1CHIAMCHR1KCNH2
SCHEMBL5487866 0.86 CCR1 (0.33) CCR1MCHR1KCNH2
SCHEMBL5487869 0.86 CCR1 (0.33) CCR1MCHR1KCNH2
SCHEMBL1323820 0.85 CCR1 (0.35) CCR1
SCHEMBL1323821 0.85 CCR1 (0.35) CCR1
SCHEMBL18633820 0.83 CCR1 (0.37) CCR1CHIT1CHIAMCHR1KCNH2
SCHEMBL18601633 0.83 CCR1 (0.34) CCR1MCHR1KCNH2
SCHEMBL18601634 0.83 CCR1 (0.34) CCR1MCHR1KCNH2
SCHEMBL6362657 0.80 CCR1 (0.38) CCR1KCNH2
SCHEMBL7733509 0.79 CCR1 (0.42) CCR1

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-8058287-B2 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-15 — — US disclosed
US-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-11-12 — — 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-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR ACKR3, CCL11, CCR7 CCR1 10/4885CHIT1 986/4885CHIA 1767/4885

“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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