SCHEMBL9892906

SCHEMBL9892906

CCC(=O)Nc1nc(CC)n(-c2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.51
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
TSHR P16473 1/20 0.51
ATM Q13315 1/20 0.51
ADORA3 P0DMS8 4/20 0.50
ADORA2A P29274 2/20 0.50
ADORA2B P29275 1/20 0.50
ADORA1 P30542 1/20 0.50
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 1/20 0.46
JAK2 O60674 1/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.45
JAK1 P23458 1/20 0.44

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
SCHEMBL16254892 0.87 LMNA (0.68) LMNAALDH1A1KDM4EHPGDTSHR
SCHEMBL9891530 0.83 ALDH1A1 (0.52) LMNAALDH1A1KDM4EHPGDTSHR
SCHEMBL20458216 0.83 LMNA (0.49) LMNAALDH1A1KDM4ETSHRMAPK1
SCHEMBL21893798 0.80 LMNA (0.43) LMNAALDH1A1KDM4ETSHRMAPK1
SCHEMBL14232826 0.79 SMN1; SMN2 (0.44) LMNAALDH1A1TSHRADORA3ADORA2A
SCHEMBL9892870 0.77 KHK (0.46) LMNAALDH1A1KDM4ETSHRMAPK1
SCHEMBL21816280 0.76 SMN1; SMN2 (0.58) LMNAALDH1A1TSHRADORA2AADORA1
SCHEMBL13257170 0.74 KHK (0.49) LMNAALDH1A1KDM4ETSHRMAPK1
SCHEMBL9892292 0.74 LMNA (0.40) LMNAALDH1A1KDM4ETSHRMAPK1
SCHEMBL3784173 0.74 L3MBTL1 (0.50) LMNAALDH1A1KDM4EHPGDTSHR

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-8383615-B2 Azetidine 2-carboxamide derivatives which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-26 US disclosed
US-20120142666-A1 Azetidine 2-Carboxamide Derivatives 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-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 LMNA 4544/4885ALDH1A1 1724/4885KDM4E 1578/4885

“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.