SCHEMBL3038764

SCHEMBL3038764

CC(C)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 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 19/20 0.48
CYP3A4 P08684 1/20 0.46
KCNH2 Q12809 2/20 0.45

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
SCHEMBL3030595 0.84 CCR2 (0.48) CCR2CYP3A4KCNH2
SCHEMBL3029890 0.81 CCR2 (0.51) CCR2CYP3A4
SCHEMBL4797150 0.80 TACR1 (0.59) CCR2CYP3A4
Trifluoroacetic Acid SCHEMBL3038763 0.78 TACR1 (0.58) CCR2CYP3A4
SCHEMBL3023281 0.78 CCR2 (0.56) CCR2
SCHEMBL3034310 0.78 KMT2A (0.48) CCR2CYP3A4KCNH2
SCHEMBL3039477 0.76 SMN1; SMN2 (0.52) CCR2CYP3A4KCNH2
SCHEMBL3030473 0.76 CCR2 (0.47) CCR2CYP3A4
SCHEMBL3033014 0.76 CCR2 (0.49) CCR2CYP3A4KCNH2
SCHEMBL3039147 0.76 CYP2D6 (0.46) CCR2CYP3A4KCNH2

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 1 patent. 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

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.