SCHEMBL1323820

SCHEMBL1323820

CCN(Cc1ccc(Cl)cc1)C[C@@H]1CCN(CC/C=C2\C3=CC=CNC3=COc3ccc(C(C)(C)O)cc32)C1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.35
▸ NR1D1 P20393 4/20 0.32
▸ NR1H3 Q13133 1/20 0.31
▸ NR1D2 Q14995 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ DDR1 Q08345 2/20 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
SCHEMBL1323821 1.00 CCR1 (0.35) CCR1NR1D1NR1H3NR1D2MEN1
SCHEMBL1323469 0.85 CCR1 (0.35) CCR1
SCHEMBL1323470 0.85 CCR1 (0.35) CCR1
SCHEMBL5487866 0.83 CCR1 (0.33) CCR1NR1D1
SCHEMBL5487869 0.83 CCR1 (0.33) CCR1NR1D1
SCHEMBL18601633 0.82 CCR1 (0.34) CCR1
SCHEMBL18601634 0.82 CCR1 (0.34) CCR1
SCHEMBL6362657 0.81 CCR1 (0.38) CCR1L3MBTL1
SCHEMBL7733509 0.79 CCR1 (0.42) CCR1
SCHEMBL7733512 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 10/4885NR1D1 1453/4885NR1H3 162/4885

“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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