SCHEMBL5057192

SCHEMBL5057192

Cc1cccnc1C1=Nc2cc(C(=O)NCc3cccs3)ccc2Sc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.53
MAPT P10636 1/20 0.51
TP53 P04637 3/20 0.50
CNR2 P34972 2/20 0.49
LMNA P02545 4/20 0.49
POLB P06746 2/20 0.49
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49
PLA2G1B P04054 2/20 0.47
ATG4B Q9Y4P1 2/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL5057566 0.87 CNR1 (0.68) CNR1MAPTTP53CNR2LMNA
SCHEMBL14206174 0.87 TP53 (0.65) CNR1MAPTTP53CNR2LMNA
SCHEMBL5058709 0.86 LMNA (0.67) CNR1MAPTTP53CNR2LMNA
SCHEMBL5064625 0.86 MAPT (0.52) CNR1MAPTTP53CNR2LMNA
SCHEMBL5054183 0.85 PKM (0.63) CNR1MAPTTP53CNR2LMNA
SCHEMBL14206060 0.85 CNR1 (0.65) CNR1MAPTTP53CNR2LMNA
SCHEMBL14206051 0.84 CNR1 (0.70) CNR1MAPTTP53CNR2LMNA
SCHEMBL14206277 0.84 TP53 (0.63) CNR1MAPTTP53CNR2LMNA
SCHEMBL5064641 0.84 CNR1 (0.57) CNR1MAPTTP53CNR2POLB
SCHEMBL14205964 0.83 CNR1 (0.76) CNR1MAPTTP53CNR2LMNA

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
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-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 CNR1 1/4885MAPT 3344/4885TP53 4870/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH CNR1 1/4885MAPT 3344/4885TP53 4870/4885

“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.