SCHEMBL5057210

SCHEMBL5057210

CCCCNC(=O)c1ccc2c(c1)N=C(C1CCCCC1)c1ccccc1S2

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.68
CNR1 P21554 5/20 0.68
CNR2 P34972 2/20 0.64
NPSR1 Q6W5P4 2/20 0.59
PLA2G1B P04054 1/20 0.59
MAPT P10636 1/20 0.59
HTT P42858 1/20 0.59
PAX8 Q06710 1/20 0.59
ATG4B Q9Y4P1 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
GAA P10253 1/20 0.56
ALDH1A1 P00352 1/20 0.55
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.52

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
SCHEMBL5062778 0.86 CNR1 (0.63) TP53CNR1CNR2NPSR1PLA2G1B
SCHEMBL5062794 0.85 CNR1 (0.61) TP53CNR1CNR2NPSR1PLA2G1B
SCHEMBL5062757 0.85 CNR1 (0.70) TP53CNR1CNR2PLA2G1BMAPT
SCHEMBL5064783 0.84 CNR1 (0.64) TP53CNR1CNR2NPSR1PLA2G1B
SCHEMBL14043568 0.83 CNR1 (0.68) TP53CNR1NPSR1MAPTSMN1; SMN2
SCHEMBL5062722 0.83 TP53 (0.67) TP53CNR1NPSR1PLA2G1BMAPT
SCHEMBL5062884 0.83 CNR1 (0.62) TP53CNR1CNR2MAPTSMN1; SMN2
SCHEMBL14542214 0.82 CNR1 (0.75) TP53CNR1MAPTSMN1; SMN2LMNA
SCHEMBL5062827 0.82 CNR1 (0.66) TP53CNR1CNR2PLA2G1BMAPT
SCHEMBL5064603 0.82 CNR1 (0.66) TP53CNR1CNR2MAPTLMNA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040033253-A1 Acyl opioid antagonists PURDUE PHARMA L.P. 2004-02-19 US claimed
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
EP-1476141-B1 TAMPER-RESISTANT TRANSDERMAL OPIOID DELIVERY DEVICES EURO CELTIQUE SA (LU) 2008-04-23 EP 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
US-20040033253-A1 Acyl opioid antagonists PURDUE PHARMA L.P. 2004-02-19 US 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 (4 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 TP53 4530/4885CNR1 4354/4885CNR2 4267/4885
US-20070105819-A1 CB-1 modulating compounds and their use CNR1, CNR2, FAAH TP53 4870/4885CNR1 1/4885CNR2 2/4885
US-20040033253-A1 Acyl opioid antagonists OPRL1, OGFR, OPRK1 TP53 4877/4885CNR1 128/4885CNR2 92/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH TP53 4870/4885CNR1 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.