SCHEMBL13222995

SCHEMBL13222995

O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1(CC2CC2)CCN(Cc2cccc(-n3ccnc3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 8/20 0.43
USP2 O75604 2/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 2/20 0.40
HIF1A Q16665 1/20 0.40
KCNH2 Q12809 6/20 0.40
GAA P10253 1/20 0.40
MCHR1 Q99705 1/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
NOS2 P35228 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CCR3 P51677 1/20 0.38
ABCB1 P08183 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38

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
SCHEMBL13243367 0.96 CCR2 (0.39) CCR2USP2TSHRCYP3A4HIF1A
SCHEMBL13222811 0.79 SIGMAR1 (0.55) KCNH2CACNA1ISIGMAR1
SCHEMBL13222974 0.78 CCR2 (0.47) CCR2USP2TSHRKCNH2GAA
SCHEMBL3037271 0.78 CCR2 (0.45) CCR2USP2TSHRKCNH2GAA
SCHEMBL3034202 0.78 CCR2 (0.45) CCR2USP2TSHRKCNH2GAA
SCHEMBL3038616 0.77 TACR1 (0.47) CCR2TSHRMCHR1ALDH1A1SIGMAR1
SCHEMBL3029479 0.77 CCR2 (0.45) CCR2USP2TSHRKCNH2GAA
SCHEMBL3034250 0.77 FAAH (0.44) CCR2USP2TSHRCYP3A4KCNH2
SCHEMBL3038231 0.77 GAA (0.49) CCR2TSHRCYP3A4KCNH2GAA
SCHEMBL3789103 0.76 DRD4 (0.51) CCR2USP2TSHRCYP3A4HIF1A

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 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 1/4885USP2 3932/4885TSHR 1158/4885

“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.