SCHEMBL12864393

SCHEMBL12864393

O=C(c1cc2occc2[nH]1)N1CCN(c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.55
▸ ALDH1A1 P00352 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ TSHR P16473 3/20 0.51
▸ USP2 O75604 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ LMNA P02545 3/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ TACR3 P29371 1/20 0.51
▸ POLB P06746 4/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ GFER P55789 1/20 0.47
▸ SLC6A7 Q99884 1/20 0.47
▸ SCD O00767 1/20 0.46
▸ SCD5 Q86SK9 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46

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
SCHEMBL12864408 0.82 POLB (0.62) DAOALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL605730 0.81 HRH4 (0.60) DAO
SCHEMBL12864399 0.81 DAO (0.59) DAOALDH1A1KMT2AMAPTLMNA
SCHEMBL27300769 0.80 HRH4 (0.71) ALDH1A1KMT2AMEN1TSHRUSP2
SCHEMBL2735943 0.75 HRH4 (0.70) ALDH1A1KMT2AMEN1TSHRMAPT
SCHEMBL679809 0.72 DAO (1.00) DAOALDH1A1KMT2AMEN1TSHR
SCHEMBL25505720 0.71 HRH4 (0.64) KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL1171650 0.71 DAO (0.96) DAOALDH1A1KMT2AMEN1TSHR
SCHEMBL24711247 0.71 ALDH1A1 (0.77) ALDH1A1KMT2AMEN1TSHRUSP2
SCHEMBL12864401 0.70 DAO (0.52) DAOALDH1A1KMT2AMEN1MAPT

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-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-02-10 — — US disclosed
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-02-10 — — US disclosed
WO-2011017634-A2 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACORE INC. (US) 2011-02-10 — — WO disclosed
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-05-13 — — US disclosed
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-05-13 — — US disclosed
WO-2010017418-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-11 — — 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 (2 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-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 DAO 2/4885ALDH1A1 350/4885KMT2A 1503/4885
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 DAO 2/4885ALDH1A1 350/4885KMT2A 1503/4885

“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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