SCHEMBL3023181

SCHEMBL3023181

O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1(CC2CC2)CCN(Cc2ccc(F)c(O)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 12/20 0.45
KCNH2 Q12809 6/20 0.42
TACR1 P25103 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
P2RX1 P51575 1/20 0.40
TMPRSS4 Q9NRS4 1/20 0.40
CYP2D6 P10635 2/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 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
SCHEMBL3043761 0.93 CCR2 (0.45) CCR2KCNH2TACR1GAASMN1; SMN2
SCHEMBL3033045 0.91 CCR2 (0.44) CCR2KCNH2TACR1GAASMN1; SMN2
SCHEMBL3029490 0.89 NPSR1 (0.49) CCR2KCNH2CYP2D6TSHR
SCHEMBL3039474 0.88 CCR2 (0.44) CCR2KCNH2TACR1GAASMN1; SMN2
SCHEMBL3041684 0.88 CCR2 (0.47) CCR2KCNH2TACR1
SCHEMBL3029508 0.87 CCR2 (0.44) CCR2KCNH2CYP2D6TSHRCYP3A4
SCHEMBL3039849 0.87 CCR2 (0.43) CCR2KCNH2TACR1CYP2D6TSHR
SCHEMBL3034424 0.87 CCR2 (0.43) CCR2KCNH2CYP2D6TSHR
SCHEMBL3029680 0.87 CCR2 (0.44) CCR2KCNH2TACR1GAASMN1; SMN2
SCHEMBL3038733 0.87 KCNH2 (0.47) CCR2KCNH2TACR1CYP2D6TSHR

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 CCR2 1/4885KCNH2 4417/4885TACR1 539/4885

“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.