SCHEMBL16991978

SCHEMBL16991978

COC(=O)c1ccc(C2CCNCC2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.48
TLR9 Q9NR96 2/20 0.47
TLR8 Q9NR97 1/20 0.47
PDE4B Q07343 2/20 0.47
QDPR P09417 3/20 0.45
ALK Q9UM73 2/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR1E P28566 1/20 0.43
HTR7 P34969 1/20 0.43
HTR2B P41595 1/20 0.43
HTR3A P46098 1/20 0.43
HTR5A P47898 1/20 0.43
HTR6 P50406 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
PLAT P00750 1/20 0.43
CHEK1 O14757 2/20 0.43
HTR4 Q13639 1/20 0.43

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
SCHEMBL16055599 0.90 PDE4B (0.49) PDE4BQDPRPDE4APDE4CPDE4D
SCHEMBL13645913 0.89 HTR2C (0.48) HTR2CTLR9TLR8PDE4BQDPR
Hydrochloric Acid SCHEMBL3861515 0.88 HTR2C (0.49) HTR2CTLR9TLR8PDE4BQDPR
SCHEMBL18310123 0.87 HTR2C (0.49) HTR2CTLR9PDE4BQDPRHTR1A
SCHEMBL31584022 0.83 TLR9 (0.50) HTR2CTLR9TLR8QDPRPLAT
SCHEMBL16992037 0.82 QDPR (0.64) HTR2CPDE4BQDPRALKHTR1A
Hydrochloric Acid SCHEMBL31583580 0.82 TLR9 (0.49) HTR2CTLR9TLR8QDPRPLAT
SCHEMBL3867583 0.81 TLR9 (0.50) HTR2CTLR9TLR8QDPRPLAT
SCHEMBL16054955 0.80 POLB (0.48) PDE4BQDPRCHEK1PDE4APDE4C
SCHEMBL12337318 0.80 PDE4B (0.59) HTR2CPDE4BHTR1AHTR1DHTR1B

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 13 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-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
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
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 HTR2C 3255/4885TLR9 4521/4885TLR8 4195/4885
US-20180271860-A1 PHARMACEUTICAL COMPOUNDS CHKA, CHKB, TNK2 HTR2C 3255/4885TLR9 4521/4885TLR8 4195/4885
US-11786524-B2 Pharmaceutical compounds CHKA, CHKB, TNK2 HTR2C 3255/4885TLR9 4521/4885TLR8 4195/4885
US-20160361310-A1 PHARMACEUTICAL COMPOUNDS CHKA, CHKB, TNK2 HTR2C 3255/4885TLR9 4521/4885TLR8 4195/4885
US-20210275525-A1 PHARMACEUTICAL COMPOUNDS CHKA, CHKB, TNK2 HTR2C 3255/4885TLR9 4521/4885TLR8 4195/4885
US-10973817-B2 Pharmaceutical compounds CHKA, CHKB, TNK2 HTR2C 3255/4885TLR9 4521/4885TLR8 4195/4885

“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.