SCHEMBL3034310

SCHEMBL3034310

COc1ccc(CN2CCC(CC(C)C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
CCR2 P41597 5/20 0.46
RAB9A P51151 1/20 0.46
KCNH2 Q12809 6/20 0.46
CACNA1G O43497 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP3A4 P08684 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.44
USP2 O75604 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL3039147 0.93 CYP2D6 (0.46) CYP2D6TSHRCCR2KCNH2CACNA1G
SCHEMBL3042078 0.93 TSHR (0.46) KDM4ECYP2D6TSHRCCR2RAB9A
SCHEMBL3033580 0.88 CCR2 (0.43) CYP2D6TSHRCCR2KCNH2CACNA1G
SCHEMBL3029686 0.88 TSHR (0.43) CYP2D6TSHRCCR2KCNH2CACNA1G
SCHEMBL14222046 0.86 RAB9A (0.44) KMT2AMEN1KDM4ETP53MAPK1
SCHEMBL3039489 0.85 CYP2D6 (0.45) CYP2D6TSHRCCR2KCNH2CACNA1G
SCHEMBL14221730 0.84 TSHR (0.41) KMT2AMEN1KDM4ECYP2D6TSHR
SCHEMBL13222917 0.84 CCR2 (0.47) CYP2D6TSHRCCR2KCNH2CYP3A4
SCHEMBL3033257 0.83 ALDH1A1 (0.48) KDM4ETSHRCCR2LMNASMN1; SMN2
SCHEMBL14222033 0.83 MAPT (0.48) KMT2AMEN1KDM4ECYP2D6TSHR

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
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

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 KMT2A 2026/4885MEN1 4753/4885KDM4E 3492/4885

“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.