SCHEMBL3762487

SCHEMBL3762487

CC(C)(C)OC(=O)N1Cc2ccccc2-n2ccnc2C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
NAMPT P43490 4/20 0.43
ESR2 Q92731 1/20 0.42
GPR119 Q8TDV5 2/20 0.41
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.40
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
NR1H2 P55055 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
BCHE P06276 1/20 0.39
GRM5 P41594 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL2474337 0.81 MAPK1 (0.46) MAPK1NAMPTESR2NR1H2DDB1
SCHEMBL16207990 0.81 TSHR (0.38) NAMPT
SCHEMBL12197348 0.78 MAPK1 (0.46) MAPK1NAMPTESR2NR1H2DDB1
SCHEMBL29676965 0.77 MAPK1 (0.64) MAPK1NAMPTESR2GPR119NR1H2
SCHEMBL5183098 0.77 MAPK1 (0.64) MAPK1NAMPTESR2GPR119NR1H2
SCHEMBL1387873 0.77 RIPK1 (0.37) MAPT
SCHEMBL3429052 0.74 MAPK1 (0.51) MAPK1NAMPTESR2GPR119NR1H2
SCHEMBL12162569 0.73 MAPK1 (0.53) MAPK1NAMPTESR2GPR119MAPT
SCHEMBL2578240 0.72 AVPR1A (0.50) MAPK1NAMPTGPR119
SCHEMBL3765028 0.72 GABRG2 (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250157-B1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LTD (IN) 2014-11-05 EP disclosed
US-8455479-B2 Heterocyclic compounds PANACEA BIOTEC LIMITED (IN) 2013-06-04 US disclosed
US-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC PHARMA LIMITED (IN) 2010-12-09 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-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS DPP4, DPP3, DPP8 MAPK1 2715/4885NAMPT 425/4885ESR2 3890/4885

“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.