SCHEMBL3039119

SCHEMBL3039119

CC(C)CC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN(CC2=NCC=N2)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 16/20 0.43
CYP3A4 P08684 1/20 0.42
KCNH2 Q12809 2/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 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
SCHEMBL13243703 0.95 CYP3A4 (0.40) CCR2CYP3A4KCNH2CYP2D6TSHR
SCHEMBL3029890 0.80 CCR2 (0.51) CCR2CYP3A4
SCHEMBL3033014 0.79 CCR2 (0.49) CCR2CYP3A4KCNH2CYP2D6TSHR
SCHEMBL13222917 0.79 CCR2 (0.47) CCR2CYP3A4KCNH2CYP2D6TSHR
SCHEMBL3034310 0.79 KMT2A (0.48) CCR2CYP3A4KCNH2CYP2D6TSHR
SCHEMBL3039489 0.78 CYP2D6 (0.45) CCR2CYP3A4KCNH2CYP2D6TSHR
SCHEMBL3033257 0.78 ALDH1A1 (0.48) CCR2TSHR
SCHEMBL3029686 0.77 TSHR (0.43) CCR2CYP3A4KCNH2CYP2D6TSHR
SCHEMBL3039147 0.77 CYP2D6 (0.46) CCR2CYP3A4KCNH2CYP2D6TSHR
SCHEMBL3042078 0.77 TSHR (0.46) CCR2CYP3A4KCNH2CYP2D6TSHR

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 4 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
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 1/4885CYP3A4 1097/4885KCNH2 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.