SCHEMBL5058720

SCHEMBL5058720

O=C(NCCc1ccc(Cl)cc1)c1ccc2c(c1)N=C(N1CCCCC1)c1ccccc1S2

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.73
MAPT P10636 9/20 0.60
CNR2 P34972 2/20 0.60
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TP53 P04637 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
GAA P10253 1/20 0.51
HRH4 Q9H3N8 1/20 0.50
LMNA P02545 1/20 0.49

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
SCHEMBL5054166 0.93 CNR1 (0.72) CNR1MAPTCNR2MEN1KMT2A
SCHEMBL5064846 0.92 CNR1 (0.84) CNR1MAPTCNR2MEN1KMT2A
SCHEMBL14206241 0.91 CNR1 (0.61) CNR1MAPTCNR2MEN1KMT2A
SCHEMBL14205958 0.90 CNR1 (0.75) CNR1MAPTCNR2MEN1KMT2A
SCHEMBL14043964 0.90 CNR1 (0.60) CNR1MAPTCNR2MEN1KMT2A
SCHEMBL5053999 0.88 CNR1 (0.70) CNR1MAPTCNR2MEN1KMT2A
SCHEMBL5064587 0.84 CNR1 (1.00) CNR1MAPTCNR2MEN1KMT2A
SCHEMBL5062703 0.84 MAPT (0.69) CNR1MAPTCNR2TP53SMN1; SMN2
SCHEMBL5063107 0.84 TP53 (0.68) CNR1MAPTCNR2MEN1KMT2A
SCHEMBL5057724 0.84 CNR1 (0.77) CNR1MAPTCNR2MEN1KMT2A

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 3344/4885CNR2 2/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH CNR1 1/4885MAPT 3344/4885CNR2 2/4885

“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.