SCHEMBL3030595

SCHEMBL3030595

CC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN(OC(=O)C(F)(F)F)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 16/20 0.48
CCR5 P51681 1/20 0.45
CYP3A4 P08684 2/20 0.45
HTT P42858 1/20 0.45
KCNH2 Q12809 4/20 0.44
TACR1 P25103 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL3038764 0.84 CCR2 (0.48) CCR2CYP3A4KCNH2
SCHEMBL13222832 0.83 CYP2D6 (0.48) CCR2CCR5CYP3A4HTTKCNH2
SCHEMBL3036649 0.82 CCR2 (0.49) CCR2CCR5CYP3A4HTTKCNH2
SCHEMBL4732010 0.81 CCR2 (0.51) CCR2CCR5CYP3A4HTTKCNH2
SCHEMBL3040315 0.81 TACR1 (0.55) CCR2CCR5CYP3A4HTTKCNH2
SCHEMBL14221691 0.77 TACR1 (0.65) CCR2CYP3A4HTTTACR1ALDH1A1
SCHEMBL13243692 0.77 CCR2 (0.43) CCR2CCR5CYP3A4HTTKCNH2
Ammonia Solution, Strong SCHEMBL3036646 0.76 TACR1 (0.64) CCR2CYP3A4HTTTACR1ALDH1A1
Trifluoroacetic Acid SCHEMBL3030594 0.76 TACR1 (0.64) CCR2CYP3A4TACR1ALDH1A1CYP2D6
SCHEMBL3042038 0.76 CCR2 (0.55) 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 2 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 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 3/4885CYP3A4 1097/4885

“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.