SCHEMBL5576863

SCHEMBL5576863

CC(CNC(=O)c1ccc2c(c1)N=C(N1CCCCC1)c1cc(F)ccc1S2)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
CNR1 P21554 5/20 0.55
CNR2 P34972 1/20 0.48
DRD2 P14416 2/20 0.48
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.42
ACKR3 P25106 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL5064632 0.92 TP53 (0.67) TP53SMN1; SMN2CNR1CNR2MAPT
SCHEMBL5576044 0.84 TP53 (0.66) TP53SMN1; SMN2CNR1CNR2MAPT
SCHEMBL5057655 0.80 DRD2 (0.54) SMN1; SMN2CNR1CNR2DRD2MEN1
SCHEMBL5064602 0.80 CNR1 (0.60) TP53SMN1; SMN2CNR1CNR2MAPT
SCHEMBL5577088 0.79 CNR1 (0.59) TP53SMN1; SMN2CNR1CNR2MAPT
SCHEMBL5058633 0.79 CNR1 (0.75) TP53SMN1; SMN2CNR1CNR2MAPT
SCHEMBL5054177 0.79 TP53 (0.68) TP53SMN1; SMN2CNR1CNR2LMNA
SCHEMBL5576074 0.79 CNR1 (0.83) TP53SMN1; SMN2CNR1CNR2DRD2
SCHEMBL5576166 0.78 CNR1 (0.71) TP53SMN1; SMN2CNR1CNR2MAPT
SCHEMBL5057196 0.78 TP53 (0.75) TP53SMN1; SMN2CNR1CNR2MAPT

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
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
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

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 TP53 4870/4885SMN1; SMN2 2143/4885CNR1 1/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH TP53 4870/4885SMN1; SMN2 2143/4885CNR1 1/4885

“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.