SCHEMBL1004434

SCHEMBL1004434

COC(=O)c1cc2c([nH]1)CCC2Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
SLC6A3 Q01959 8/20 0.39
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 3/20 0.37
SSTR3 P32745 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
P2RX7 Q99572 1/20 0.35
MCHR1 Q99705 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL1002765 0.90 MEN1 (0.36) SLC6A3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL1004177 0.89 MAPT (0.38) SLC6A3SLC6A2KDM4EALDH1A1
SCHEMBL1006811 0.86 KDM4A (0.37) SSTR3PTGS1PTGS2
SCHEMBL1005522 0.86 POLB (0.42) SLC6A3SLC6A2MEN1KMT2AP2RX7
SCHEMBL1003747 0.85 CA1 (0.44) MEN1KMT2AKDM4EALDH1A1
SCHEMBL1004248 0.85 NPC1 (0.35) MEN1NPC1RAB9AKMT2AHCRTR1
SCHEMBL12844881 0.85 MAPT (0.38) MEN1RAB9AKMT2AALDH1A1
SCHEMBL1007332 0.84 PTGS1 (0.37) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL1003927 0.84 PTGS1 (0.35) MEN1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL1004655 0.84 NPC1 (0.37) TSHRSLC6A3SLC6A4MEN1NPC1

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 8 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

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-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE TSHR 4620/4885SLC6A3 224/4885SLC6A2 617/4885

“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.