SCHEMBL29958643

SCHEMBL29958643

O=C1NC(=O)C2(CCNCC2)N1CCN1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.38
CNR1 P21554 1/20 0.34
GLA P06280 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 2/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KEAP1 Q14145 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.32
PARP1 P09874 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL29788418 0.86 DAO (0.39) DAOCNR1GLAPOLBUSP2
SCHEMBL30118412 0.80 GLA (0.40) DAOGLAHSD17B10POLBUSP2
SCHEMBL23409941 0.76 DAO (0.42) DAOCNR1GLAHSD17B10POLB
SCHEMBL2452166 0.73 SMN1; SMN2 (0.36) HSD17B10SMN1; SMN2
SCHEMBL4144093 0.72 HSD17B10 (0.36) HSD17B10
Hydrochloric Acid SCHEMBL31537337 0.70 HSD17B10 (0.35) HSD17B10
SCHEMBL10916903 0.68 KDM4E (0.55) DAOGLAHRH3HSD17B10POLB
SCHEMBL416345 0.68 SMN1; SMN2 (0.50) DAOGLAHRH3HSD17B10POLB
SCHEMBL5072452 0.68 HTR2A (0.40) DAOCNR1GLAHRH3HSD17B10
Hydrochloric Acid SCHEMBL27141329 0.66 GLA (0.48) DAOGLAHRH3HSD17B10POLB

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-20220340573-A1 1,2,4-OXADIAZOLE DERIVATIVES AS LIVER X RECEPTOR AGONISTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2022-10-27 US disclosed
EP-4065228-A1 1,2,4-OXADIAZOLE DERIVATIVES AS LIVER X RECEPTOR AGONISTS Novartis AG (CH) 2022-10-05 EP 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-20220340573-A1 1,2,4-OXADIAZOLE DERIVATIVES AS LIVER X RECEPTOR AGONISTS NR1H4, GPBAR1, NR1I2 DAO 1411/4885CNR1 284/4885GLA 1081/4885

“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.