SCHEMBL3033473

SCHEMBL3033473

O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1(Cc2cccnc2)CCN(CC2CCOCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 11/20 0.48
KCNH2 Q12809 3/20 0.48
EBP Q15125 4/20 0.43
NAMPT P43490 1/20 0.41
TACR1 P25103 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL3041700 0.91 CCR2 (0.47) CCR2KCNH2EBP
SCHEMBL3042043 0.91 CCR2 (0.49) CCR2EBPTACR1LMNA
SCHEMBL3034833 0.86 CCR2 (0.47) CCR2EBPTACR1LMNA
SCHEMBL3039259 0.84 CCR2 (0.48) CCR2KCNH2EBP
SCHEMBL13222890 0.84 CCR2 (0.48) CCR2EBP
SCHEMBL3023614 0.81 CCR2 (0.51) CCR2EBP
SCHEMBL3023281 0.81 CCR2 (0.56) CCR2EBP
SCHEMBL14222529 0.81 EBP (0.45) CCR2KCNH2EBP
SCHEMBL3023616 0.81 UBE2M (0.51) CCR2KCNH2NAMPTTACR1LMNA
SCHEMBL14222035 0.80 KDM4E (0.47) CCR2KCNH2

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 5 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

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 1/4885KCNH2 4417/4885EBP 1339/4885

“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.