SCHEMBL5057217

SCHEMBL5057217

CCCNC1=Nc2cc(C(=O)NN3CCCCC3)ccc2Sc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.65
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
TP53 P04637 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 2/20 0.48
PLA2G1B P04054 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
PAX8 Q06710 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
CNR2 P34972 1/20 0.48
POLB P06746 1/20 0.47
PLEC Q15149 1/20 0.46
LMNA P02545 1/20 0.45
GAA P10253 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
SCHEMBL5054291 0.85 MEN1 (0.73) CNR1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL5057567 0.85 CNR1 (0.69) CNR1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL5057212 0.83 CNR1 (0.73) CNR1MEN1KMT2ATP53HTT
SCHEMBL5057182 0.83 MEN1 (0.65) CNR1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL5057218 0.83 MEN1 (0.64) CNR1MEN1KMT2ATP53SMN1; SMN2
Hydrochloric Acid SCHEMBL5054136 0.82 CNR1 (0.72) CNR1MEN1KMT2ATP53HTT
SCHEMBL5062721 0.81 CNR1 (0.72) CNR1MEN1KMT2ATP53HTT
SCHEMBL5058692 0.80 CNR1 (0.66) CNR1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL5054094 0.80 CNR1 (0.71) CNR1MEN1KMT2ATP53HTT
SCHEMBL5063067 0.79 CNR1 (1.00) CNR1MEN1KMT2ATP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (2 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-20070105819-A1 CB-1 modulating compounds and their use CNR1, CNR2, FAAH CNR1 1/4885MEN1 4178/4885KMT2A 3357/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH CNR1 1/4885MEN1 4178/4885KMT2A 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.