SCHEMBL3040635

SCHEMBL3040635

CC(NC(=O)C1(CC2CC2)CCN(CC2CCOCC2)C1)c1cncc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EBP Q15125 6/20 0.39
ENPP2 Q13822 1/20 0.36
KCNH2 Q12809 2/20 0.36
KCNK3 O14649 1/20 0.35
CCR2 P41597 2/20 0.35
ACACB O00763 1/20 0.34
IDO1 P14902 2/20 0.34
TDO2 P48775 2/20 0.34
HTR4 Q13639 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
NPY2R P49146 1/20 0.33
MAP3K12 Q12852 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
TACR1 P25103 1/20 0.33

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
SCHEMBL3035970 0.83 CCR2 (0.41) EBPKCNH2CCR2IDO1TDO2
SCHEMBL3789121 0.78 KCNH2 (0.39) KCNH2ACACBTACR1
SCHEMBL3036595 0.76 CCR2 (0.50) EBPCCR2
SCHEMBL13243497 0.73 CCR2 (0.46) EBPCCR2
SCHEMBL3039462 0.73 CCR2 (0.49) EBPCCR2
SCHEMBL3037262 0.71 CCR2 (0.47) CCR2
SCHEMBL3035962 0.71 CCR2 (0.49) EBPCCR2
SCHEMBL3040682 0.71 CCR2 (0.43) EBPCCR2
SCHEMBL1119770 0.71 KCNH2 (0.55) KCNH2CCR2
SCHEMBL3029007 0.69 CCR2 (0.53) CCR2

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 claimed
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 EBP 1339/4885ENPP2 474/4885KCNH2 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.