SCHEMBL464499

SCHEMBL464499

CC(C)(O)c1cccc(-c2cn(C(=O)N3COCC3(C)C)cn2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.34
KCNH2 Q12809 1/20 0.34
CTSA P10619 1/20 0.33
CNR2 P34972 5/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 3/20 0.32
CYP1A2 P05177 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
GLA P06280 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
DGAT2 Q96PD7 1/20 0.32
KIT P10721 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32

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
SCHEMBL7898244 0.85 KMO (0.38) CNR2KDM4EALDH1A1GAACYP1A2
SCHEMBL427485 0.85 FAAH (0.38) CNR2KDM4EALDH1A1GAACYP1A2
SCHEMBL427643 0.85 HSD17B1 (0.37) KDM4EALDH1A1GAACYP1A2HPGD
SCHEMBL425743 0.85 FAAH (0.43) CNR2KDM4EALDH1A1GAACYP1A2
SCHEMBL425899 0.84 CNR2 (0.34) CNR2KDM4EALDH1A1GAACYP1A2
SCHEMBL425997 0.84 GRM5 (0.37) GRM5
SCHEMBL427956 0.82 TP53 (0.39) KCNH2KDM4EALDH1A1GAAHPGD
SCHEMBL427770 0.82 FYN (0.38) NR4A2
SCHEMBL425714 0.81 CYP2A6 (0.46) HPGDCYP2C9CYP2C19CYP2D6
SCHEMBL427535 0.79 CNR2 (0.35) CNR2KDM4EALDH1A1GAACYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 NR4A2 3687/4885KCNH2 1739/4885CTSA 258/4885

“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.