SCHEMBL9891818

SCHEMBL9891818

CC(C)C(=O)Nc1nc(C(C)(C)C)ns1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 3/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CNR2 P34972 1/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.41
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
CDK5 Q00535 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL9892988 0.81 SMN1; SMN2 (0.49) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL9891516 0.79 RAB9A (0.55) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL20458176 0.77 CNR2 (0.43) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL77851 0.75 FFAR2 (0.62) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL22435983 0.70 CNR2 (0.49) CNR2TP53ATAD2
SCHEMBL23966912 0.69 CCNE1 (0.48) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL10068184 0.69 ALDH1A1 (0.64) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL9891806 0.69 SMN1; SMN2 (1.00) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL9564508 0.69 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL9891819 0.68 SMN1; SMN2 (0.77) NPC1RAB9ASMN1; SMN2LMNAMEN1

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 2 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

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 NPC1 1904/4885RAB9A 2299/4885SMN1; SMN2 4659/4885

“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.