SCHEMBL3038732

SCHEMBL3038732

COc1cc(CN2CCC(CC(C)C)(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.58
▸ TP53 P04637 2/20 0.58
▸ GAA P10253 1/20 0.58
▸ KDM4E B2RXH2 3/20 0.53
▸ NPSR1 Q6W5P4 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ MAPT P10636 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ TSHR P16473 5/20 0.48
▸ HTT P42858 1/20 0.48
▸ TDP1 Q9NUW8 2/20 0.47
▸ KDM4C Q9H3R0 1/20 0.47
▸ ALOX15 P16050 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CCR2 P41597 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45

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
SCHEMBL13222942 0.94 KDM4E (0.59) LMNATP53GAAKDM4ENPSR1
SCHEMBL14222521 0.91 LMNA (0.58) LMNATP53GAAKDM4ENPSR1
SCHEMBL3029687 0.86 LMNA (0.54) LMNATP53GAAKDM4ENPSR1
SCHEMBL3042039 0.83 MAPT (0.52) LMNATP53GAAKDM4ENPSR1
SCHEMBL14221754 0.81 KDM4E (0.46) LMNATP53GAAKDM4ENPSR1
SCHEMBL1119934 0.77 CCR2 (0.42) KDM4ENPSR1ALDH1A1MAPTHTT
SCHEMBL3039147 0.77 CYP2D6 (0.46) NPSR1ALDH1A1TSHRUSP2L3MBTL1
SCHEMBL3034206 0.76 CCR2 (0.57) NPSR1POLBCCR2
SCHEMBL3033580 0.74 CCR2 (0.43) ALDH1A1TSHRUSP2CCR2CYP3A4
SCHEMBL6131824 0.74 ALDH1A1 (0.66) LMNATP53GAAKDM4ENPSR1

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 LMNA 2736/4885TP53 4563/4885GAA 3620/4885

“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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