SCHEMBL426009

SCHEMBL426009

Cc1cc2nnn(C(=O)N3COCC3(C)C)c2cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 11/20 0.46
MGAM O43451 8/20 0.46
AMY1A P0DUB6 8/20 0.46
SI P14410 8/20 0.46
MGAM2 Q2M2H8 8/20 0.46
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
POLB P06746 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNMA1 Q12791 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 2/20 0.35
GLA P06280 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL425936 0.86 KCNMA1 (0.39) GAAMGAMAMY1ASIMGAM2
SCHEMBL427992 0.84 F12 (0.37) GAAMGAMAMY1ASIMGAM2
SCHEMBL427663 0.82 FAAH (0.36) GAAMGAMAMY1ASIMGAM2
SCHEMBL427962 0.82 KCNMA1 (0.48) GAAMGAMAMY1ASIMGAM2
SCHEMBL444875 0.81 HCAR3 (0.40) GAAMGAMAMY1ASIMGAM2
SCHEMBL424826 0.81 HCAR3 (0.49) HPGD
SCHEMBL425578 0.81 FAAH (0.47) GAAMGAMAMY1ASIMGAM2
SCHEMBL7899384 0.80 GAA (0.32) GAAMGAMAMY1ASIMGAM2
SCHEMBL7906239 0.80 KCNMA1 (0.37) GAAKDM4EALDH1A1CYP1A2HPGD
SCHEMBL425919 0.80 HDAC3 (0.43) GAAMGAMAMY1ASIMGAM2

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-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 GAA 184/4885MGAM 1034/4885AMY1A 955/4885

“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.