SCHEMBL27101046

SCHEMBL27101046

COC(=O)c1cnc(NC2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.52
MAPT P10636 4/20 0.47
MAPK1 P28482 3/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 4/20 0.47
GPR119 Q8TDV5 5/20 0.46
NSD2 O96028 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
PIK3CD O00329 1/20 0.44
HPGD P15428 1/20 0.43
HSD11B1 P28845 1/20 0.42
PIK3CA P42336 1/20 0.42
CNR1 P21554 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL26671831 0.91 GPR119 (0.47) OPRK1MAPTMAPK1ALDH1A1GPR119
SCHEMBL26671813 0.87 GPR119 (0.48) MAPTMAPK1ALDH1A1GPR119NSD2
SCHEMBL26671779 0.86 HSD11B1 (0.56) MAPTMAPK1ALDH1A1GPR119NSD2
SCHEMBL12470576 0.86 GPR119 (0.47) MAPTMAPK1ALDH1A1GPR119NSD2
SCHEMBL27101036 0.86 GPR119 (0.47) MAPTMAPK1ALDH1A1GPR119NSD2
SCHEMBL29417859 0.86 GPR119 (0.47) MAPTMAPK1ALDH1A1GPR119NSD2
SCHEMBL29712781 0.86 HSD11B1 (0.56) MAPTMAPK1ALDH1A1GPR119NSD2
SCHEMBL26671863 0.85 GPR119 (0.46) MAPTMAPK1ALDH1A1GPR119NSD2
SCHEMBL18440448 0.84 MAPK1 (0.59) OPRK1MAPTMAPK1POLBALDH1A1
SCHEMBL27101047 0.84 ALDH1A1 (0.50) MAPTMAPK1ALDH1A1GPR119NSD2

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-20240067645-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF LG CHEM, LTD. (KR) 2024-02-29 US disclosed
CN-116615199-A Heterocyclic compounds as diacylglycerol kinase inhibitors and uses thereof 株式会社LG化学 2023-08-18 CN 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-20240067645-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF DGKA, DGKB, DGKK OPRK1 1558/4885MAPT 4016/4885MAPK1 25/4885

“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.