SCHEMBL3029479

SCHEMBL3029479

O=C(O)c1cc(CN2CCC(CC3CC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 10/20 0.45
TACR1 P25103 2/20 0.43
KCNH2 Q12809 8/20 0.41
CYP2D6 P10635 2/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
USP2 O75604 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
P2RX1 P51575 1/20 0.40
TMPRSS4 Q9NRS4 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CACNA1I Q9P0X4 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
SCHEMBL3033045 0.95 CCR2 (0.44) CCR2TACR1KCNH2CYP2D6TSHR
SCHEMBL3037271 0.94 CCR2 (0.45) CCR2TACR1KCNH2CYP2D6TSHR
SCHEMBL3034202 0.92 CCR2 (0.45) CCR2TACR1KCNH2CYP2D6TSHR
SCHEMBL13222974 0.89 CCR2 (0.47) CCR2TACR1KCNH2CYP2D6TSHR
SCHEMBL3036985 0.88 CCR2 (0.44) CCR2KCNH2CYP2D6TSHRGAA
SCHEMBL3040986 0.87 CCR2 (0.44) CCR2
SCHEMBL3029674 0.87 CCR2 (0.43) CCR2TACR1KCNH2CYP2D6TSHR
SCHEMBL3039479 0.86 CCR2 (0.44) CCR2KCNH2CYP2D6TSHRGAA
SCHEMBL14221713 0.86 CCR2 (0.41) CCR2TACR1KCNH2CYP2D6TSHR
SCHEMBL13244006 0.86 L3MBTL1 (0.52) CCR2KCNH2CYP2D6TSHRGAA

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 3 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
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 539/4885KCNH2 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.