SCHEMBL3041001

SCHEMBL3041001

COc1cc(C(C)N2CCC(CC(C)C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 11/20 0.43
KCNH2 Q12809 4/20 0.43
TMEM97 Q5BJF2 1/20 0.41
DUSP3 P51452 1/20 0.40
CYP3A4 P08684 1/20 0.40
TACR1 P25103 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3039147 0.86 CYP2D6 (0.46) CCR2KCNH2CYP3A4
SCHEMBL3033580 0.83 CCR2 (0.43) CCR2KCNH2TMEM97DUSP3CYP3A4
SCHEMBL3042078 0.81 TSHR (0.46) CCR2KCNH2CYP3A4
SCHEMBL3034310 0.79 KMT2A (0.48) CCR2KCNH2CYP3A4MEN1KMT2A
SCHEMBL4728789 0.77 TACR1 (0.38) KCNH2TMEM97DUSP3TACR1
SCHEMBL3029686 0.76 TSHR (0.43) CCR2KCNH2CYP3A4
SCHEMBL13222917 0.76 CCR2 (0.47) CCR2KCNH2CYP3A4
SCHEMBL3038764 0.75 CCR2 (0.48) CCR2KCNH2CYP3A4
SCHEMBL3035011 0.75 CYP2D6 (0.46) CCR2KCNH2DUSP3CYP3A4MEN1
SCHEMBL3038231 0.75 GAA (0.49) CCR2KCNH2CYP3A4

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 5 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
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 1/4885KCNH2 4417/4885TMEM97 990/4885

“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.