SCHEMBL5057724

SCHEMBL5057724

O=C(NCc1ccc(Cl)cc1Cl)c1ccc2c(c1)N=C(N1CCCCC1)c1ccccc1S2

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.77
CNR2 P34972 2/20 0.64
HRH4 Q9H3N8 1/20 0.52
LMNA P02545 2/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 3/20 0.48
EPHX2 P34913 2/20 0.48
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PLA2G1B P04054 1/20 0.46
ROCK2 O75116 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL5058730 0.92 CNR1 (0.75) CNR1CNR2HRH4LMNAMEN1
SCHEMBL5064587 0.87 CNR1 (1.00) CNR1CNR2HRH4MEN1KMT2A
SCHEMBL5057722 0.85 CNR1 (0.70) CNR1CNR2LMNAMEN1KMT2A
SCHEMBL5057259 0.85 CNR1 (0.83) CNR1CNR2LMNAMEN1KMT2A
SCHEMBL5062841 0.85 LMNA (0.58) CNR1CNR2LMNATP53EPHX2
SCHEMBL5058720 0.84 CNR1 (0.73) CNR1CNR2HRH4LMNAMEN1
SCHEMBL5064842 0.83 CNR1 (0.63) CNR1CNR2LMNATP53MAPT
SCHEMBL13807807 0.82 CNR1 (0.77) CNR1CNR2LMNAMEN1KMT2A
SCHEMBL13807796 0.82 CNR1 (0.71) CNR1CNR2LMNAMEN1KMT2A
SCHEMBL5064846 0.82 CNR1 (0.84) CNR1CNR2HRH4MEN1KMT2A

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 1/4885CNR2 2/4885HRH4 210/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885HRH4 210/4885

“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.