SCHEMBL1005555

SCHEMBL1005555

COC(=O)c1cc2c([nH]1)CCC2CCc1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.42
NQO2 P16083 13/20 0.42
MTNR1B P49286 13/20 0.42
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F2RL1 P55085 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL1006644 0.90 NQO2 (0.40) MTNR1ANQO2MTNR1BALDH1A1SMN1; SMN2
SCHEMBL1003471 0.89 MMP2 (0.44) MTNR1BALDH1A1
SCHEMBL1002764 0.83 CYP1A2 (0.38) MTNR1ANQO2MTNR1BCYP1A2
SCHEMBL1002763 0.82 MMP2 (0.43) MTNR1BALDH1A1
SCHEMBL1004611 0.79 MMP1 (0.45) ALDH1A1SMN1; SMN2HPGD
SCHEMBL1003747 0.79 CA1 (0.44) ALDH1A1
SCHEMBL12844881 0.78 MAPT (0.38) ALDH1A1CYP1A2
SCHEMBL1004177 0.77 MAPT (0.38) ALDH1A1HPGD
SCHEMBL1004000 0.77 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2HPGD
SCHEMBL1004655 0.77 NPC1 (0.37) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19

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 MTNR1A 1639/4885NQO2 52/4885MTNR1B 2016/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE MTNR1A 1639/4885NQO2 52/4885MTNR1B 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.