SCHEMBL9891819

SCHEMBL9891819

CC(C)C(=O)Nc1nc(-c2ccc(O)cc2)ns1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.77
LMNA P02545 6/20 0.77
NPC1 O15118 5/20 0.77
RAB9A P51151 5/20 0.77
MEN1 O00255 3/20 0.77
KMT2A Q03164 3/20 0.77
ADORA3 P0DMS8 7/20 0.59
TP53 P04637 5/20 0.57
MAPT P10636 5/20 0.57
L3MBTL1 Q9Y468 1/20 0.54
HTT P42858 1/20 0.50
POLB P06746 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
RXFP1 Q9HBX9 1/20 0.48
TYR P14679 1/20 0.46

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
SCHEMBL28952954 0.87 SMN1; SMN2 (0.75) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL9891806 0.87 SMN1; SMN2 (1.00) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL9891812 0.85 ADORA3 (0.74) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL9892965 0.84 SMN1; SMN2 (0.78) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL4243345 0.74 ADORA3 (1.00) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL9852151 0.70 SMN1; SMN2 (0.75) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL16254958 0.70 SMN1; SMN2 (1.00) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL9852174 0.69 ADORA3 (0.77) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL4241185 0.69 ADORA3 (1.00) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL9891818 0.68 NPC1 (0.52) SMN1; SMN2LMNANPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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 (1 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 SMN1; SMN2 4659/4885LMNA 4696/4885NPC1 1904/4885

“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.