SCHEMBL2493397

SCHEMBL2493397

CC(C)(C)OC(=O)N1CC(N)=C(C#N)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.41
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR2 Q92731 1/20 0.39
CTSK P43235 1/20 0.39
ADORA1 P30542 1/20 0.39
GPR119 Q8TDV5 7/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
DPP4 P27487 1/20 0.36

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
SCHEMBL7415947 0.87 NR1H2 (0.50) NR1H2USP2SMN1; SMN2ESR2CTSK
SCHEMBL13048672 0.77 ESR2 (0.46) NR1H2USP2SMN1; SMN2ESR2ADORA1
SCHEMBL12435353 0.77 NR1H2 (0.44) NR1H2USP2SMN1; SMN2ESR2ADORA1
SCHEMBL22056024 0.77 NR1H2 (0.38) NR1H2USP2SMN1; SMN2ESR2CTSK
SCHEMBL626936 0.76 ESR2 (0.49) NR1H2USP2SMN1; SMN2ESR2CTSK
SCHEMBL25539482 0.73 ADORA1 (0.42) NR1H2USP2SMN1; SMN2ESR2ADORA1
SCHEMBL2292608 0.72 USP2 (0.52) NR1H2USP2SMN1; SMN2ESR2GPR119
SCHEMBL344121 0.71 USP2 (0.41) NR1H2USP2SMN1; SMN2ESR2CTSK
SCHEMBL18975935 0.71 USP2 (0.41) NR1H2USP2SMN1; SMN2ESR2CTSK
SCHEMBL22056057 0.71 NR1H2 (0.40) NR1H2USP2SMN1; SMN2ESR2ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023224963-A1 DUAL-ACTING ANGIOTENSIN AND ENDOTHELIN RECEPTOR ANTAGONISTS ARIA PHARMACEUTICALS, INC. (US) 2023-11-23 WO disclosed
WO-2023224963-A1 DUAL-ACTING ANGIOTENSIN AND ENDOTHELIN RECEPTOR ANTAGONISTS ARIA PHARMACEUTICALS, INC. (US) 2023-11-23 WO disclosed
CN-108698992-B 2-cyanoisoindoline derivatives for the treatment of cancer 特殊治疗有限公司 2022-04-19 CN disclosed
EP-3429994-B1 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER MISSION THERAPEUTICS LTD (GB) 2021-06-16 EP disclosed
US-10683269-B2 2-cyanoisoindoline derivatives for treating cancer MISSION THERAPEUTICS LIMITED (GB) 2020-06-16 US disclosed
EP-3429994-A1 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER Mission Therapeutics Limited (GB) 2019-01-23 EP disclosed
US-20190010122-A1 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER MISSION THERAPEUTICS LIMITED (GB) 2019-01-10 US disclosed
CN-108698992-A 2- cyano isoindoline derivatives for treating cancer 特殊治疗有限公司 2018-10-23 CN disclosed
WO-2017158388-A1 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER MISSION THERAPEUTICS LIMITED (GB) 2017-09-21 WO disclosed
US-20110257208-A1 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. 2011-10-20 US disclosed
US-20110257208-A1 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. 2011-10-20 US disclosed
US-20110257208-A1 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. 2011-10-20 US disclosed
EP-2364316-A1 6, 7 -dihydro- 5h- pyrrolo [3, 4-d¨pyrimidin-4-yl]-quinolin-3 -ylamine compounds useful as FAAH modulators and uses thereof Renovis, Inc. (US) 2011-09-14 EP disclosed
WO-2010059610-A1 6, 7 -DIHYDRO- 5H- PYRROLO [3, 4-D] PYRIMIDIN-4-YL] -QUINOLIN-3 -YLAMINE COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2010-05-27 WO disclosed
WO-2010059610-A1 6, 7 -DIHYDRO- 5H- PYRROLO [3, 4-D] PYRIMIDIN-4-YL] -QUINOLIN-3 -YLAMINE COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2010-05-27 WO 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 (3 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-20110257208-A1 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF FAAH, FAAH2, CNR2 NR1H2 400/4885USP2 1479/4885SMN1; SMN2 1690/4885
US-20190010122-A1 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER USP7, USP47, USP2 NR1H2 2297/4885USP2 3/4885SMN1; SMN2 4184/4885
US-10683269-B2 2-cyanoisoindoline derivatives for treating cancer USP7, USP47, USP2 NR1H2 2297/4885USP2 3/4885SMN1; SMN2 4184/4885

“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.