SCHEMBL19805885

SCHEMBL19805885

COc1ccc(OC2CCCNC2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 7/20 0.54
PDE4B Q07343 1/20 0.52
ROCK2 O75116 2/20 0.51
PRKX P51817 1/20 0.51
PRKCE Q02156 1/20 0.51
PRKCD Q05655 1/20 0.51
PRKD1 Q15139 1/20 0.51
KCNH2 Q12809 1/20 0.50
CHRNB2 P17787 2/20 0.49
CHRNA4 P43681 2/20 0.49
PARP1 P09874 1/20 0.46
HIF1A Q16665 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
PRKCZ Q05513 1/20 0.44
MEN1 O00255 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
SCHEMBL4216952 0.83 PDE4B (0.50) ROCK1PDE4BROCK2KCNH2CHRNB2
SCHEMBL3153942 0.83 CHRNB2 (0.55) ROCK1ROCK2PRKXPRKCEPRKCD
SCHEMBL11447756 0.82 PDE4B (0.46) ROCK1PDE4BCA12CA1CA2
SCHEMBL15650063 0.81 CHRNB2 (0.57) ROCK1ROCK2PRKXPRKCEPRKCD
Hydrochloric Acid SCHEMBL27302123 0.80 TLR9 (0.53) ROCK1PDE4BROCK2PRKCDKCNH2
SCHEMBL3158901 0.76 CHRNB2 (0.55) ROCK1ROCK2PRKXPRKCEPRKCD
SCHEMBL4218518 0.75 CYP2D6 (0.53) ROCK1PDE4BMEN1KMT2A
SCHEMBL4218519 0.75 CYP2D6 (0.53) ROCK1PDE4BMEN1KMT2A
SCHEMBL3154509 0.75 CHRNB2 (0.57) ROCK1ROCK2PRKXPRKCEPRKCD
SCHEMBL30101461 0.75 ROCK1 (0.56) ROCK1ROCK2PRKXPRKCEPRKCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 US disclosed
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 US disclosed
US-20210309647-A1 Apoptosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-10-07 US disclosed
US-11034680-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-06-15 US disclosed
EP-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 EP disclosed
US-20190152960-A1 Apoptosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-05-23 US disclosed
WO-2018014802-A1 APOPTOSIS INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-01-25 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 (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-20190152960-A1 Apoptosis Inhibitors BAX, SDHA, SDHB ROCK1 3642/4885PDE4B 2935/4885ROCK2 3715/4885
US-11725000-B2 Apoptosis inhibitors BAX, SDHA, SDHB ROCK1 3642/4885PDE4B 2935/4885ROCK2 3715/4885
US-11034680-B2 Apoptosis inhibitors BAX, SDHA, SDHB ROCK1 3642/4885PDE4B 2935/4885ROCK2 3715/4885
US-20210309647-A1 Apoptosis Inhibitors BAX, SDHA, SDHB ROCK1 3642/4885PDE4B 2935/4885ROCK2 3715/4885

“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.