SCHEMBL5546415

SCHEMBL5546415

Cn1c(=O)oc2c(Cl)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.42
BTK Q06187 1/20 0.42
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.37
CA12 O43570 1/20 0.36
BRD4 O60885 1/20 0.36
BRPF1 P55201 1/20 0.36
CA9 Q16790 1/20 0.36
KAT2B Q92831 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 2/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL13681603 0.81 HTR1A (0.41) JAK2BTKHTR1ADRD2ALDH1A1
SCHEMBL14867215 0.79 ASAH1 (0.42) JAK2BTKHTR1ADRD2ALDH1A1
SCHEMBL3800787 0.79 JAK2 (0.40) JAK2BTKALDH1A1MEN1KMT2A
SCHEMBL5543874 0.78 JAK2 (0.48) JAK2BTKHTR1ADRD2ALDH1A1
SCHEMBL14034640 0.78 HTR1A (0.40) JAK2BTKHTR1ADRD2ALDH1A1
SCHEMBL7978985 0.78 HTT (0.44) JAK2BTKHTR1ADRD2ALDH1A1
SCHEMBL5546411 0.78 ALDH1A1 (0.37) ALDH1A1L3MBTL1SMN1; SMN2TP53NOTUM
SCHEMBL5542528 0.78 HTR1A (0.42) JAK2BTKHTR1ADRD2ALDH1A1
SCHEMBL24656305 0.75 HTR1A (0.38) JAK2BTKHTR1ADRD2ALDH1A1
SCHEMBL21893887 0.75 HTR1A (0.38) JAK2BTKHTR1ADRD2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11655223-B2 Certain (2S)-N-[(1 s)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2023-05-23 US disclosed
US-20230028726-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS BIOPHARMA CREDIT PLC (GB) 2023-01-26 US disclosed
US-9725463-B2 Substituted heterocyclic compounds as CRAC modulators LUPIN LIMITED (IN) 2017-08-08 US disclosed
US-9725463-B2 Substituted heterocyclic compounds as CRAC modulators LUPIN LIMITED (IN) 2017-08-08 US disclosed
US-9725463-B2 Substituted heterocyclic compounds as CRAC modulators LUPIN LIMITED (IN) 2017-08-08 US disclosed
US-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-26 US disclosed
US-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-26 US disclosed
US-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-26 US disclosed
WO-2014203217-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2014-12-24 WO disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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 (4 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 JAK2 4213/4885BTK 4560/4885HTR1A 4141/4885
US-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS RYR2, NR2C2, CACNA1E JAK2 2504/4885BTK 681/4885HTR1A 1318/4885
US-20230028726-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS DPP4, DPP7, DPEP1 JAK2 1212/4885BTK 2907/4885HTR1A 2236/4885
US-11655223-B2 Certain (2S)-N-[(1 s)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPP3 JAK2 1186/4885BTK 3126/4885HTR1A 2207/4885

“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.