SCHEMBL3029687

SCHEMBL3029687

COc1cc(CN2CCC(CC3CC3)(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.54
▸ GAA P10253 3/20 0.54
▸ TP53 P04637 2/20 0.54
▸ KDM4E B2RXH2 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ CCR2 P41597 2/20 0.47
▸ TSHR P16473 5/20 0.47
▸ MAPT P10636 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ HTT P42858 1/20 0.47
▸ POLB P06746 2/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ CHRM4 P08173 1/20 0.45
▸ TDP1 Q9NUW8 2/20 0.44
▸ KDM4C Q9H3R0 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43

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
SCHEMBL3040626 0.87 CCR2 (0.52) GAAKDM4EALDH1A1CCR2SMN1; SMN2
SCHEMBL3038732 0.86 LMNA (0.58) LMNAGAATP53KDM4EALDH1A1
SCHEMBL13222942 0.80 KDM4E (0.59) LMNAGAATP53KDM4EALDH1A1
SCHEMBL13222953 0.79 LMNA (0.52) LMNAGAATP53KDM4EALDH1A1
SCHEMBL3034260 0.79 CCR2 (0.52) NPSR1CCR2TSHRHTTPOLB
SCHEMBL14222521 0.79 LMNA (0.58) LMNAGAATP53KDM4EALDH1A1
SCHEMBL1119856 0.78 CCR2 (0.43) GAACCR2SMN1; SMN2CYP3A4
SCHEMBL3023504 0.78 CCR2 (0.47) GAAKDM4EALDH1A1CCR2TSHR
SCHEMBL3038231 0.74 GAA (0.49) GAAKDM4EALDH1A1CCR2TSHR
SCHEMBL3039852 0.73 CCR2 (0.45) GAAKDM4EALDH1A1CCR2TSHR

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 4 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
WO-2008045564-A2 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2008-04-17 — — WO 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 LMNA 2736/4885GAA 3620/4885TP53 4563/4885

“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.

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