SCHEMBL3036649

SCHEMBL3036649

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

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 15/20 0.49
TACR1 P25103 1/20 0.48
CYP3A4 P08684 3/20 0.47
ALDH1A1 P00352 1/20 0.47
MTOR P42345 1/20 0.46
HTT P42858 1/20 0.46
CCR5 P51681 1/20 0.46
KCNH2 Q12809 4/20 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
SCHEMBL4732010 0.86 CCR2 (0.51) CCR2TACR1CYP3A4ALDH1A1MTOR
SCHEMBL13222832 0.85 CYP2D6 (0.48) CCR2TACR1CYP3A4ALDH1A1MTOR
SCHEMBL3030595 0.82 CCR2 (0.48) CCR2TACR1CYP3A4ALDH1A1HTT
SCHEMBL14221691 0.82 TACR1 (0.65) CCR2TACR1CYP3A4ALDH1A1MTOR
SCHEMBL3040315 0.82 TACR1 (0.55) CCR2TACR1CYP3A4ALDH1A1HTT
Ammonia Solution, Strong SCHEMBL3036646 0.81 TACR1 (0.64) CCR2TACR1CYP3A4ALDH1A1MTOR
SCHEMBL13243692 0.79 CCR2 (0.43) CCR2TACR1CYP3A4ALDH1A1HTT
SCHEMBL3042038 0.78 CCR2 (0.55) CCR2KCNH2
Trifluoroacetic Acid SCHEMBL3030594 0.78 TACR1 (0.64) CCR2TACR1CYP3A4ALDH1A1MTOR
SCHEMBL14169781 0.78 CCR2 (0.55) 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 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 1/4885TACR1 539/4885CYP3A4 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.