SCHEMBL16992106

SCHEMBL16992106

COc1cc(C[C@H]2CCCN2C(=O)O)ccc1C(=O)CC#N

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 17/20 0.48
▸ HCRTR2 O43614 17/20 0.48
▸ ROCK2 O75116 1/20 0.41
▸ DAGLB Q8NCG7 2/20 0.39

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
SCHEMBL17002534 0.88 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL16992099 0.85 HCRTR1 (0.52) HCRTR1HCRTR2ROCK2DAGLB
SCHEMBL16991924 0.75 NAAA (0.38) —
SCHEMBL30360947 0.74 HRH3 (0.54) HCRTR1HCRTR2DAGLB
SCHEMBL16992003 0.73 PDE4A (0.44) —
SCHEMBL28334501 0.73 GAA (0.52) HCRTR1HCRTR2
SCHEMBL22828895 0.73 CHRM5 (0.38) —
SCHEMBL18300898 0.72 QDPR (0.50) —
SCHEMBL18310150 0.72 HCRTR1 (0.48) HCRTR1HCRTR2ROCK2
SCHEMBL17002525 0.71 HCRTR1 (0.50) HCRTR1HCRTR2

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 HCRTR1 4434/4885HCRTR2 4031/4885ROCK2 315/4885
US-20180271860-A1 PHARMACEUTICAL COMPOUNDS CHKA, CHKB, TNK2 HCRTR1 4434/4885HCRTR2 4031/4885ROCK2 315/4885
US-11786524-B2 Pharmaceutical compounds CHKA, CHKB, TNK2 HCRTR1 4434/4885HCRTR2 4031/4885ROCK2 315/4885
US-20160361310-A1 PHARMACEUTICAL COMPOUNDS CHKA, CHKB, TNK2 HCRTR1 4434/4885HCRTR2 4031/4885ROCK2 315/4885
US-20210275525-A1 PHARMACEUTICAL COMPOUNDS CHKA, CHKB, TNK2 HCRTR1 4434/4885HCRTR2 4031/4885ROCK2 315/4885
US-10973817-B2 Pharmaceutical compounds CHKA, CHKB, TNK2 HCRTR1 4434/4885HCRTR2 4031/4885ROCK2 315/4885

“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.

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