SCHEMBL5058708

SCHEMBL5058708

O=C(NCc1cccc(Cl)c1)c1ccc2c(c1)N=C(C1CCCCC1)c1ccccc1S2

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.71
CNR2 P34972 2/20 0.62
POLB P06746 2/20 0.53
TP53 P04637 2/20 0.51
LMNA P02545 3/20 0.49
MAPT P10636 3/20 0.48
ROCK2 O75116 1/20 0.47
NPC1 O15118 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PLA2G1B P04054 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
SCHEMBL5062884 0.92 CNR1 (0.62) CNR1CNR2POLBTP53LMNA
SCHEMBL5062757 0.91 CNR1 (0.70) CNR1CNR2POLBTP53LMNA
SCHEMBL5576876 0.91 CNR1 (0.64) CNR1CNR2POLBTP53LMNA
SCHEMBL5064842 0.87 CNR1 (0.63) CNR1CNR2POLBTP53LMNA
SCHEMBL5062827 0.86 CNR1 (0.66) CNR1CNR2POLBTP53LMNA
SCHEMBL5064603 0.86 CNR1 (0.66) CNR1CNR2POLBTP53LMNA
SCHEMBL5064783 0.84 CNR1 (0.64) CNR1CNR2POLBTP53LMNA
SCHEMBL5057266 0.84 CNR1 (0.77) CNR1CNR2POLBTP53LMNA
SCHEMBL5064587 0.83 CNR1 (1.00) CNR1CNR2POLBTP53MAPT
SCHEMBL16316876 0.83 CNR1 (0.71) CNR1CNR2POLBTP53LMNA

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 10 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-20070106074-A1 Iron catalyzed cross-coupling reactions of imidoyl derivatives ACADIA PHARMACEUTICALS 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
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 (3 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-20070106074-A1 Iron catalyzed cross-coupling reactions of imidoyl derivatives SDHB, TFRC, SLC40A1 CNR1 4354/4885CNR2 4267/4885POLB 1159/4885
US-20070105819-A1 CB-1 modulating compounds and their use CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885POLB 4785/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885POLB 4785/4885

“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.