SCHEMBL9891489

SCHEMBL9891489

CC(C)(C)c1nc(C2CCCCC2)cs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMIGD3 P0DMS9 1/20 0.42
ADORA1 P30542 1/20 0.42
C1S P09871 1/20 0.39
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
FPR1 P21462 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HSD17B10 Q99714 1/20 0.36
IDO1 P14902 1/20 0.36
RORC P51449 1/20 0.36
HTR6 P50406 1/20 0.35
TLR8 Q9NR97 1/20 0.34
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL20711403 0.91 TMIGD3 (0.49) TMIGD3ADORA1NPC1ALDH1A1MAPT
SCHEMBL3395754 0.76 MAPK1 (0.44) TMIGD3ADORA1C1SNPC1ALDH1A1
SCHEMBL24962516 0.75 TMIGD3 (0.45) TMIGD3ADORA1NPC1ALDH1A1MAPT
SCHEMBL13031623 0.73 TNF (0.41) TMIGD3ADORA1C1SNPC1ALDH1A1
SCHEMBL21610736 0.73 RAB9A (0.44) TMIGD3ADORA1C1SNPC1ALDH1A1
SCHEMBL1801634 0.72 HSD17B10 (0.51) C1SNPC1ALDH1A1MAPTRAB9A
SCHEMBL1794807 0.69 SMN1; SMN2 (0.53) C1SNPC1ALDH1A1MAPTRAB9A
SCHEMBL23964566 0.69 MAPT (0.40) TMIGD3ADORA1C1SNPC1ALDH1A1
SCHEMBL5708677 0.69 RAB9A (0.44) TMIGD3ADORA1C1SNPC1ALDH1A1
SCHEMBL9891514 0.69 ADORA1 (0.86) TMIGD3ADORA1NPC1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 US disclosed
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
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 (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-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 TMIGD3 3001/4885ADORA1 11/4885C1S 1023/4885
US-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 TMIGD3 953/4885ADORA1 106/4885C1S 1318/4885

“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.