SCHEMBL3034206

SCHEMBL3034206

CC(C)CC1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CCN(CC2CCOCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 16/20 0.57
▸ CCR5 P51681 14/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ EBP Q15125 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
SCHEMBL3029819 0.87 CCR2 (0.57) CCR2CCR5NPSR1POLBEBP
SCHEMBL3034260 0.86 CCR2 (0.52) CCR2CCR5NPSR1POLB
SCHEMBL3042039 0.78 MAPT (0.52) CCR2CCR5NPSR1POLB
SCHEMBL14221754 0.78 KDM4E (0.46) CCR2CCR5NPSR1
SCHEMBL13222942 0.77 KDM4E (0.59) NPSR1POLB
SCHEMBL3038732 0.76 LMNA (0.58) CCR2NPSR1POLB
SCHEMBL12969384 0.74 THRB (0.68) CCR2CCR5
SCHEMBL3023281 0.73 CCR2 (0.56) CCR2EBP
SCHEMBL3327106 0.73 CCR2 (1.00) CCR2CCR5
SCHEMBL3360369 0.73 CCR2 (1.00) CCR2CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE EPIX DELAWARE, INC. (US) 2010-08-19 — — US claimed
US-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE EPIX DELAWARE, INC. (US) 2010-08-19 — — US disclosed
US-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE EPIX DELAWARE, INC. (US) 2010-08-19 — — US disclosed
US-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE EPIX DELAWARE, INC. (US) 2010-08-19 — — US disclosed
WO-2008045564-A2 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2008-04-17 — — WO disclosed
WO-2008045564-A2 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2008-04-17 — — 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-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE CCR2, CCR1, CCR5 CCR2 1/4885CCR5 3/4885NPSR1 320/4885

“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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