SCHEMBL5057264

SCHEMBL5057264

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

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.60
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 3/20 0.45
CNR2 P34972 2/20 0.45
MEN1 O00255 2/20 0.44
TP53 P04637 2/20 0.44
CYP2D6 P10635 1/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL5057212 0.90 CNR1 (0.73) CNR1KMT2ACNR2MEN1TP53
Hydrochloric Acid SCHEMBL5054136 0.89 CNR1 (0.72) CNR1KMT2ACNR2MEN1TP53
SCHEMBL14513433 0.88 CNR1 (0.60) CNR1SMN1; SMN2KMT2ACNR2MEN1
SCHEMBL14206126 0.87 CNR1 (0.61) CNR1SMN1; SMN2KMT2ACNR2TP53
SCHEMBL14043606 0.86 CNR1 (0.56) CNR1SMN1; SMN2KMT2ACNR2MEN1
SCHEMBL5057311 0.85 CNR1 (0.63) CNR1SMN1; SMN2KMT2ACNR2TP53
SCHEMBL14043687 0.85 CNR1 (0.58) CNR1KMT2ACNR2MEN1TP53
SCHEMBL5064579 0.84 CNR1 (0.64) CNR1SMN1; SMN2KMT2ACNR2MEN1
SCHEMBL5064573 0.84 CNR1 (0.86) CNR1SMN1; SMN2KMT2AMEN1TP53
SCHEMBL14206109 0.83 CNR1 (0.53) CNR1KMT2ACNR2MEN1TP53

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 4354/4885SMN1; SMN2 3851/4885KMT2A 1534/4885
US-20070105819-A1 CB-1 modulating compounds and their use CNR1, CNR2, FAAH CNR1 1/4885SMN1; SMN2 2143/4885KMT2A 3357/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH CNR1 1/4885SMN1; SMN2 2143/4885KMT2A 3357/4885

“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.