SCHEMBL1547569

SCHEMBL1547569

C[C@H](N)COc1ccc(Oc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
MAOA P21397 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
LTA4H P09960 2/20 0.52
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
CYP2C19 P33261 1/20 0.51
PTGS2 P35354 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HIF1A Q16665 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
ACACB O00763 1/20 0.50
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49

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
SCHEMBL1547697 1.00 MAOB (0.54) MAOBGAAMAPTMAOARAB9A
SCHEMBL10606913 0.95 MAOB (0.59) MAOBGAAMAPTMAOARAB9A
SCHEMBL19984479 0.86 ACACB (0.55) MAOBGAAMAPTMAOARAB9A
SCHEMBL5538712 0.82 LMNA (0.72) MAOBGAAMAPTMAOARAB9A
SCHEMBL507119 0.80 LMNA (0.63) MAOALMNACYP1A2PTGS1
SCHEMBL4442204 0.80 LMNA (0.63) MAOALMNACYP1A2PTGS1
SCHEMBL366154 0.80 LMNA (0.63) MAOALMNACYP1A2PTGS1
SCHEMBL11849334 0.80 LMNA (0.69) MAOBGAAMAPTMAOARAB9A
SCHEMBL2750285 0.80 LTA4H (0.67) MAOBGAAMAPTMAOARAB9A
SCHEMBL12532788 0.80 LTA4H (0.67) MAOBGAAMAPTMAOARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10233156-B2 9-membered fused ring derivative SHIONOGI & CO., LTD. (JP) 2019-03-19 US disclosed
US-20180079727-A1 9-MEMBERED FUSED RING DERIVATIVE SHIONOGI & CO., LTD. (JP) 2018-03-22 US disclosed
US-8470841-B2 Heterocyclic compounds, processes for their preparation, medicaments comprising these compounds, and the use thereof SANOFI (FR) 2013-06-25 US disclosed
US-20110183998-A1 HETEROCYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THE USE THEREOF SANOFI-AVENTIS (FR) 2011-07-28 US disclosed
EP-2310372-A2 HETEROCYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THE USE THEREOF Sanofi-Aventis (FR) 2011-04-20 EP disclosed
WO-2010003624-A2 HETEROCYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THE USE THEREOF SANOFI-AVENTIS (FR) 2010-01-14 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 (3 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-20180079727-A1 9-MEMBERED FUSED RING DERIVATIVE ACSS2, AGTR2, ACSL3 MAOB 1020/4885GAA 1319/4885MAPT 4147/4885
US-20110183998-A1 HETEROCYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THE USE THEREOF CS, CYP11B1, GPR119 MAOB 126/4885GAA 581/4885MAPT 4465/4885
US-10233156-B2 9-membered fused ring derivative AGTR2, ACSS2, ACSL3 MAOB 906/4885GAA 1305/4885MAPT 3915/4885

“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.