SCHEMBL4637170

SCHEMBL4637170

COC(=O)c1ccccc1Sc1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.56
SLC6A3 Q01959 3/20 0.56
SLC6A2 P23975 2/20 0.56
PDE7A Q13946 2/20 0.47
PDE7B Q9NP56 1/20 0.47
MAPT P10636 7/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 3/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.44
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.42
GSTP1 P09211 1/20 0.42
GSTM2 P28161 1/20 0.42

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
SCHEMBL30610315 0.86 MAPT (0.58) SLC6A4SLC6A3SLC6A2MAPTPOLB
SCHEMBL16430875 0.86 MAPT (0.58) SLC6A4SLC6A3SLC6A2MAPTPOLB
SCHEMBL1340717 0.86 SLC6A2 (0.70) SLC6A4SLC6A3SLC6A2PDE7AMAPT
SCHEMBL17080230 0.85 SLC6A4 (0.56) SLC6A4SLC6A3SLC6A2PDE7AMAPT
SCHEMBL3407545 0.85 PDE7A (0.60) SLC6A4SLC6A3SLC6A2PDE7APDE7B
SCHEMBL4001367 0.85 GSTP1 (0.57) SLC6A4SLC6A3SLC6A2PDE7APDE7B
SCHEMBL28230963 0.84 LMNA (0.57) SLC6A4SLC6A3SLC6A2MAPTPOLB
SCHEMBL17862100 0.84 MAPT (0.67) SLC6A4SLC6A3SLC6A2PDE7AMAPT
SCHEMBL16976256 0.84 PDE7A (0.53) SLC6A4SLC6A3SLC6A2PDE7APDE7B
SCHEMBL5832891 0.83 SLC6A4 (0.64) SLC6A4SLC6A3SLC6A2PDE7APDE7B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009075691-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2009-06-18 WO disclosed
WO-2008118141-A2 USE OF CANNABINOID MODULATING COMPOUNDS IN COMBINATION WITH OTHER THERAPEUTIC COMPOUNDS FOR ADJUNCTIVE THERAPY ACADIA PHARMACEUTICALS INC. (US) 2008-10-02 WO disclosed
WO-2008118141-A2 USE OF CANNABINOID MODULATING COMPOUNDS IN COMBINATION WITH OTHER THERAPEUTIC COMPOUNDS FOR ADJUNCTIVE THERAPY ACADIA PHARMACEUTICALS INC. (US) 2008-10-02 WO disclosed
EP-1937677-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE Arcadia Pharmaceuticals Inc. (US) 2008-07-02 EP disclosed
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 US disclosed
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 US disclosed
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 US disclosed
US-20070105819-A1 CB-1 modulating compounds and their use ACADIA PHARMACEUTICALS, INC. 2007-05-10 US disclosed
US-20070105819-A1 CB-1 modulating compounds and their use ACADIA PHARMACEUTICALS, INC. 2007-05-10 US disclosed
US-20070105819-A1 CB-1 modulating compounds and their use ACADIA PHARMACEUTICALS, INC. 2007-05-10 US disclosed
WO-2007047737-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2007-04-26 WO disclosed
WO-2007047737-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2007-04-26 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-20070105819-A1 CB-1 modulating compounds and their use CNR1, CNR2, FAAH SLC6A4 1657/4885SLC6A3 1868/4885SLC6A2 1914/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH SLC6A4 1657/4885SLC6A3 1868/4885SLC6A2 1914/4885

“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.