SCHEMBL3033045

SCHEMBL3033045

O=C(O)c1cc(CN2CCC(CC3CC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 13/20 0.44
TACR1 P25103 2/20 0.42
KCNH2 Q12809 5/20 0.40
P2RX1 P51575 1/20 0.39
TMPRSS4 Q9NRS4 1/20 0.39
MGLL Q99685 1/20 0.38
GAA P10253 2/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3029479 0.95 CCR2 (0.45) CCR2TACR1KCNH2P2RX1TMPRSS4
SCHEMBL3023181 0.91 CCR2 (0.45) CCR2TACR1KCNH2P2RX1TMPRSS4
SCHEMBL3037271 0.89 CCR2 (0.45) CCR2TACR1KCNH2GAACYP2D6
SCHEMBL3043761 0.89 CCR2 (0.45) CCR2TACR1KCNH2P2RX1TMPRSS4
SCHEMBL3033136 0.88 CCR2 (0.42) CCR2TACR1KCNH2P2RX1TMPRSS4
SCHEMBL3034202 0.87 CCR2 (0.45) CCR2TACR1KCNH2P2RX1TMPRSS4
SCHEMBL3029490 0.87 NPSR1 (0.49) CCR2KCNH2CYP2D6TSHR
SCHEMBL3039474 0.86 CCR2 (0.44) CCR2TACR1KCNH2GAACYP3A4
SCHEMBL3041684 0.85 CCR2 (0.47) CCR2TACR1KCNH2
SCHEMBL3029508 0.85 CCR2 (0.44) CCR2KCNH2CYP3A4CYP2D6TSHR

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 7 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
WO-2008045564-A2 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2008-04-17 WO 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 1/4885TACR1 539/4885KCNH2 4417/4885

“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.