SCHEMBL5064864

SCHEMBL5064864

O=C(NCc1ccco1)c1ccc2c(c1)N=C(c1ccc(Cl)c(Cl)c1)c1ccccc1S2

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.69
LMNA P02545 5/20 0.67
ALDH1A1 P00352 2/20 0.67
PKM P14618 2/20 0.67
PLA2G1B P04054 4/20 0.65
ATG4B Q9Y4P1 2/20 0.65
HTT P42858 2/20 0.65
MAPT P10636 2/20 0.61
KDM4E B2RXH2 1/20 0.61
CNR2 P34972 2/20 0.59
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL5057752 0.91 LMNA (0.69) CNR1LMNAALDH1A1PKMPLA2G1B
SCHEMBL5057186 0.90 CNR1 (0.70) CNR1LMNAALDH1A1PKMPLA2G1B
SCHEMBL5058712 0.89 LMNA (0.71) CNR1LMNAALDH1A1PKMPLA2G1B
SCHEMBL5057762 0.88 LMNA (0.69) CNR1LMNAALDH1A1PKMPLA2G1B
SCHEMBL5058673 0.86 CNR1 (0.69) CNR1LMNAALDH1A1PKMPLA2G1B
SCHEMBL5057533 0.86 LMNA (0.67) CNR1LMNAALDH1A1PKMPLA2G1B
SCHEMBL5058776 0.84 CNR1 (0.70) CNR1LMNAALDH1A1PKMPLA2G1B
SCHEMBL5057669 0.84 LMNA (0.71) CNR1LMNAALDH1A1PKMPLA2G1B
SCHEMBL13808140 0.84 CNR1 (0.91) CNR1LMNAALDH1A1PLA2G1BATG4B
SCHEMBL5054204 0.82 LMNA (0.69) CNR1LMNAALDH1A1PKMPLA2G1B

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 1/4885LMNA 3921/4885ALDH1A1 888/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH CNR1 1/4885LMNA 3921/4885ALDH1A1 888/4885

“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.