SCHEMBL5058682

SCHEMBL5058682

O=C(NCCCc1ccccc1)c1ccc2c(c1)N=C(Cl)c1ccccc1S2

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
CNR1 P21554 5/20 0.61
CNR2 P34972 2/20 0.61
TP53 P04637 6/20 0.60
POLB P06746 1/20 0.58
NPSR1 Q6W5P4 2/20 0.57
KDM4E B2RXH2 1/20 0.56
PLA2G1B P04054 1/20 0.56
HTT P42858 1/20 0.56
PAX8 Q06710 1/20 0.56
ATG4B Q9Y4P1 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
ALDH1A1 P00352 1/20 0.55

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
SCHEMBL5058707 0.94 MAPT (0.69) MAPTCNR1CNR2TP53POLB
SCHEMBL5062703 0.88 MAPT (0.69) MAPTCNR1CNR2TP53POLB
SCHEMBL4748210 0.88 CNR1 (0.78) MAPTCNR1CNR2TP53POLB
SCHEMBL5064837 0.87 POLB (0.71) MAPTCNR1CNR2TP53POLB
SCHEMBL5057692 0.87 CNR1 (0.69) MAPTCNR1CNR2TP53POLB
SCHEMBL5057618 0.87 CNR1 (0.80) MAPTCNR1CNR2TP53POLB
SCHEMBL5062595 0.86 CNR1 (0.62) MAPTCNR1CNR2TP53POLB
SCHEMBL5057337 0.86 MAPT (0.65) MAPTCNR1CNR2TP53POLB
SCHEMBL14043845 0.85 TP53 (0.81) MAPTCNR1CNR2TP53POLB
SCHEMBL13808126 0.85 TP53 (0.75) MAPTCNR1CNR2TP53POLB

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 MAPT 4383/4885CNR1 4354/4885CNR2 4267/4885
US-20070105819-A1 CB-1 modulating compounds and their use CNR1, CNR2, FAAH MAPT 3344/4885CNR1 1/4885CNR2 2/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH MAPT 3344/4885CNR1 1/4885CNR2 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.