SCHEMBL16992328

SCHEMBL16992328

COc1cc(OC2CCN(C(=O)O)CC2)ccc1C(=O)CC#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 5/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ AVPR2 P30518 1/20 0.42
▸ AVPR1A P37288 1/20 0.42
▸ HIF1A Q16665 1/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ PDE4B Q07343 2/20 0.39
▸ GPR6 P46095 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ CCR3 P51677 1/20 0.39
▸ ACACB O00763 1/20 0.39
▸ PIK3CA P42336 2/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ EPHX2 P34913 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
SCHEMBL16992044 0.87 GPR119 (0.55) ALDH1A1PDE4BHRH3MEN1KMT2A
SCHEMBL18300898 0.83 QDPR (0.50) ALDH1A1PDE4BPDE4APDE4CPDE4D
SCHEMBL16991926 0.82 HIF1A (0.46) OXTRALDH1A1AVPR2AVPR1AHIF1A
SCHEMBL16991924 0.81 NAAA (0.38) ALDH1A1MEN1KMT2A
SCHEMBL22828894 0.78 HIF1A (0.34) OXTRHIF1AHSD11B1PDE4BACACB
SCHEMBL22828895 0.78 CHRM5 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL18300854 0.78 CTSK (0.48) ALDH1A1HIF1AMEN1KMT2A
SCHEMBL23292497 0.77 SMN1; SMN2 (0.57) ALDH1A1MEN1KMT2A
SCHEMBL28113364 0.77 GPR6 (0.35) PDE4BGPR6HRH1CCR3ACACB
SCHEMBL8665462 0.76 OXTR (0.55) OXTRALDH1A1AVPR2AVPR1AHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11786524-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (GB) 2023-10-17 — — US disclosed
US-20210275525-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2021-09-09 — — US disclosed
EP-3811944-A1 PHARMACEUTICAL COMPOUNDS AS CHK1 INHIBITORS Sentinel Oncology Limited (GB) 2021-04-28 — — EP disclosed
US-10973817-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (GB) 2021-04-13 — — US disclosed
EP-3104860-B1 PHARMACEUTICAL COMPOUNDS AS CHK1 INHIBITORS SENTINEL ONCOLOGY LTD (GB) 2020-12-30 — — EP disclosed
US-20180271860-A1 PHARMACEUTICAL COMPOUNDS CASCADIAN THERAPEUTICS, INC. (US) 2018-09-27 — — US disclosed
US-10010547-B2 Pharmaceutical compounds CASCADIAN THERAPEUTICS, INC. (US) 2018-07-03 — — US disclosed
EP-3104860-A1 PHARMACEUTICAL COMPOUNDS Cascadian Therapeutics, Inc. (US) 2016-12-21 — — EP disclosed
US-20160361310-A1 PHARMACEUTICAL COMPOUNDS SEATTLE GENETICS, INC. 2016-12-15 — — US disclosed
WO-2015120390-A1 PHARMACEUTICAL COMPOUNDS ONCOTHYREON INC. (US) 2015-08-13 — — 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 (6 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-10010547-B2 Pharmaceutical compounds CHKA, CHKB, TNK2 OXTR 4622/4885ALDH1A1 4266/4885AVPR2 4599/4885
US-20180271860-A1 PHARMACEUTICAL COMPOUNDS CHKA, CHKB, TNK2 OXTR 4622/4885ALDH1A1 4266/4885AVPR2 4599/4885
US-11786524-B2 Pharmaceutical compounds CHKA, CHKB, TNK2 OXTR 4622/4885ALDH1A1 4266/4885AVPR2 4599/4885
US-20160361310-A1 PHARMACEUTICAL COMPOUNDS CHKA, CHKB, TNK2 OXTR 4622/4885ALDH1A1 4266/4885AVPR2 4599/4885
US-20210275525-A1 PHARMACEUTICAL COMPOUNDS CHKA, CHKB, TNK2 OXTR 4622/4885ALDH1A1 4266/4885AVPR2 4599/4885
US-10973817-B2 Pharmaceutical compounds CHKA, CHKB, TNK2 OXTR 4622/4885ALDH1A1 4266/4885AVPR2 4599/4885

“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.

Send feedback