SCHEMBL3034202

SCHEMBL3034202

O=C(O)c1cc(CN2CCC(CC3CC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 11/20 0.45
P2RX1 P51575 1/20 0.45
TMPRSS4 Q9NRS4 1/20 0.45
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TACR1 P25103 2/20 0.43
CYP2D6 P10635 2/20 0.41
TSHR P16473 2/20 0.41
KCNH2 Q12809 6/20 0.41
USP2 O75604 3/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CACNA1G O43497 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
SCHEMBL3029479 0.92 CCR2 (0.45) CCR2P2RX1TMPRSS4GAASMN1; SMN2
SCHEMBL3037271 0.91 CCR2 (0.45) CCR2GAASMN1; SMN2TACR1CYP2D6
SCHEMBL3036985 0.89 CCR2 (0.44) CCR2GAASMN1; SMN2CYP2D6TSHR
SCHEMBL13222989 0.88 GAA (0.44) CCR2P2RX1TMPRSS4GAASMN1; SMN2
SCHEMBL3039479 0.87 CCR2 (0.44) CCR2GAASMN1; SMN2CYP2D6TSHR
SCHEMBL3033045 0.87 CCR2 (0.44) CCR2P2RX1TMPRSS4GAASMN1; SMN2
SCHEMBL3038231 0.86 GAA (0.49) CCR2GAASMN1; SMN2CYP2D6TSHR
SCHEMBL3043761 0.84 CCR2 (0.45) CCR2P2RX1TMPRSS4GAASMN1; SMN2
SCHEMBL13222974 0.84 CCR2 (0.47) CCR2GAASMN1; SMN2TACR1CYP2D6
SCHEMBL14221713 0.83 CCR2 (0.41) CCR2GAASMN1; SMN2TACR1CYP2D6

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 6 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
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 1/4885P2RX1 339/4885TMPRSS4 850/4885

“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.