SCHEMBL5054072

SCHEMBL5054072

O=C(NCCc1cccnc1)c1ccc2c(c1)N=C(c1ccc(F)cc1)c1ccccc1S2

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.66
NAMPT P43490 2/20 0.56
CNR2 P34972 2/20 0.56
TP53 P04637 4/20 0.52
MAPT P10636 4/20 0.52
PKM P14618 1/20 0.50
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PTAFR P25105 1/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL5064663 0.92 CNR1 (0.57) CNR1NAMPTCNR2TP53MAPT
SCHEMBL5064615 0.92 CNR1 (0.70) CNR1CNR2TP53MAPTPKM
SCHEMBL5057395 0.91 CNR1 (0.75) CNR1CNR2TP53PKMPOLB
SCHEMBL5062615 0.91 CNR1 (0.72) CNR1CNR2TP53MAPTGAA
SCHEMBL5057403 0.91 CNR1 (0.66) CNR1CNR2TP53MAPTGAA
SCHEMBL5063139 0.90 CNR1 (0.54) CNR1CNR2TP53MAPTPKM
SCHEMBL5057613 0.88 CNR1 (0.71) CNR1CNR2TP53MAPTPKM
SCHEMBL5064599 0.87 CNR1 (0.67) CNR1NAMPTCNR2TP53MAPT
SCHEMBL5057710 0.86 CNR1 (0.84) CNR1CNR2TP53MAPTGAA
SCHEMBL5062835 0.86 CNR1 (0.73) CNR1CNR2TP53MAPTGAA

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 1/4885NAMPT 2357/4885CNR2 2/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH CNR1 1/4885NAMPT 2357/4885CNR2 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.