SCHEMBL5064573

SCHEMBL5064573

O=C(NN1CCOCC1)c1ccc2c(c1)N=C(C1CCCCC1)c1ccccc1S2

nearest known ligand 0.86

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.86
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TP53 P04637 6/20 0.43
LMNA P02545 3/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 2/20 0.40

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
SCHEMBL5063067 0.92 CNR1 (1.00) CNR1KMT2AMEN1TP53LMNA
SCHEMBL5064579 0.84 CNR1 (0.64) CNR1KMT2AMEN1TP53SMN1; SMN2
SCHEMBL5057264 0.84 CNR1 (0.60) CNR1KMT2AMEN1TP53SMN1; SMN2
SCHEMBL14542214 0.82 CNR1 (0.75) CNR1KMT2AMEN1TP53LMNA
SCHEMBL5062812 0.82 CNR1 (0.66) CNR1KMT2AMEN1TP53SMN1; SMN2
SCHEMBL5064839 0.81 CNR1 (0.72) CNR1KMT2AMEN1TP53LMNA
SCHEMBL5058777 0.81 CNR1 (0.75) CNR1KMT2AMEN1TP53LMNA
SCHEMBL14513433 0.80 CNR1 (0.60) CNR1KMT2AMEN1TP53SMN1; SMN2
SCHEMBL14043606 0.80 CNR1 (0.56) CNR1KMT2AMEN1TP53POLB
SCHEMBL5062757 0.79 CNR1 (0.70) CNR1KMT2AMEN1TP53LMNA

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 4354/4885KMT2A 1534/4885MEN1 554/4885
US-20070105819-A1 CB-1 modulating compounds and their use CNR1, CNR2, FAAH CNR1 1/4885KMT2A 3357/4885MEN1 4178/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH CNR1 1/4885KMT2A 3357/4885MEN1 4178/4885

“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.