SCHEMBL3029686

SCHEMBL3029686

COc1cc(F)c(CN2CCC(CC(C)C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
CYP2D6 P10635 1/20 0.43
CCR2 P41597 9/20 0.43
CYP3A4 P08684 2/20 0.43
USP2 O75604 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KCNH2 Q12809 5/20 0.41
CACNA1G O43497 2/20 0.41
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL3034310 0.88 KMT2A (0.48) TSHRCYP2D6CCR2CYP3A4USP2
SCHEMBL3042078 0.84 TSHR (0.46) TSHRCYP2D6CCR2CYP3A4USP2
SCHEMBL3039147 0.84 CYP2D6 (0.46) TSHRCYP2D6CCR2CYP3A4USP2
SCHEMBL14222309 0.82 TSHR (0.40) TSHRCYP2D6CCR2CYP3A4USP2
SCHEMBL3039489 0.80 CYP2D6 (0.45) TSHRCYP2D6CCR2CYP3A4USP2
SCHEMBL3033580 0.80 CCR2 (0.43) TSHRCYP2D6CCR2CYP3A4USP2
SCHEMBL13222917 0.79 CCR2 (0.47) TSHRCYP2D6CCR2CYP3A4USP2
SCHEMBL3029890 0.79 CCR2 (0.51) CCR2CYP3A4
SCHEMBL3033257 0.78 ALDH1A1 (0.48) TSHRCCR2SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL3033014 0.78 CCR2 (0.49) TSHRCYP2D6CCR2CYP3A4USP2

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 5 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

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 TSHR 1158/4885CYP2D6 1241/4885CCR2 1/4885

“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.