SCHEMBL1006644

SCHEMBL1006644

COc1ccc(CCC2CCc3[nH]c(C(=O)O)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 13/20 0.40
MTNR1A P48039 13/20 0.40
MTNR1B P49286 13/20 0.40
KDR P35968 1/20 0.39
PPARD Q03181 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F2RL1 P55085 1/20 0.37

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
SCHEMBL1005555 0.90 MTNR1A (0.42) NQO2MTNR1AMTNR1BALDH1A1SMN1; SMN2
SCHEMBL1004485 0.86 DAO (0.40) MTNR1BKDRALDH1A1
SCHEMBL12777457 0.86 DAO (0.40) MTNR1BKDRALDH1A1
SCHEMBL1003471 0.81 MMP2 (0.44) MTNR1BALDH1A1
SCHEMBL1003681 0.80 HCAR2 (0.42) NQO2MTNR1AMTNR1BKDRALDH1A1
SCHEMBL1004844 0.79 DAO (0.38) KDRSMN1; SMN2
SCHEMBL1004266 0.79 MMP1 (0.43) PPARD
SCHEMBL1007279 0.78 CA1 (0.48) ALDH1A1SMN1; SMN2
SCHEMBL8159258 0.75 SMN1; SMN2 (0.35) ALDH1A1SMN1; SMN2
SCHEMBL12777375 0.75 SMN1; SMN2 (0.35) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 WO disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 WO disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2009-04-16 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 (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-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE NQO2 52/4885MTNR1A 1639/4885MTNR1B 2016/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE NQO2 52/4885MTNR1A 1639/4885MTNR1B 2016/4885

“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.