SCHEMBL4001925

SCHEMBL4001925

CCOC(=O)c1ccc(Sc2ccc(F)cc2C(=O)OCC)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.52
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
TP53 P04637 1/20 0.52
ALDH1A1 P00352 5/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
PKM P14618 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
LMNA P02545 3/20 0.49
KDM4E B2RXH2 2/20 0.49
POLB P06746 2/20 0.49
GSTP1 P09211 2/20 0.47
GSTM2 P28161 2/20 0.47
PTGER4 P35408 1/20 0.47
THRB P10828 1/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL4003687 0.88 MAPT (0.50) MAPTKMT2AMEN1SMN1; SMN2TP53
SCHEMBL1568682 0.88 SLC6A2 (0.50) MAPTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL4671094 0.86 ALDH1A1 (0.54) MAPTKMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL18376682 0.86 GSTP1 (0.60) MAPTKMT2AMEN1SMN1; SMN2TP53
SCHEMBL17080222 0.85 HPGD (0.54) MAPTKMT2AMEN1SMN1; SMN2TP53
SCHEMBL9534191 0.82 GSTP1 (0.50) MAPTKMT2AMEN1SMN1; SMN2TP53
SCHEMBL4007748 0.81 ALDH1A1 (0.54) MAPTKMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL260444 0.81 KMT2A (0.62) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4004813 0.81 MAPT (0.53) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL18376413 0.80 MAPT (0.76) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1

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 13 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-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 MAPT 3344/4885KMT2A 3357/4885MEN1 4178/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH MAPT 3344/4885KMT2A 3357/4885MEN1 4178/4885

“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.