SCHEMBL9826022

SCHEMBL9826022

COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc([N+](=O)[O-])ccc1OCCCCNC[C@H](O)COc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
KMT2A Q03164 5/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
ATM Q13315 1/20 0.44
CYP1A2 P05177 4/20 0.44
HIF1A Q16665 4/20 0.44
LMNA P02545 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
ABCC4 O15439 2/20 0.44
CACNA1F O60840 2/20 0.44
ABCB11 O95342 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44

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
SCHEMBL9824742 1.00 ADRA2A (0.49) ADRA2AADRA2BADRA2CKMT2AMAPT
SCHEMBL9689815 1.00 ADRA2A (0.49) ADRA2AADRA2BADRA2CKMT2AMAPT
Hydrochloric Acid SCHEMBL9826083 0.99 ADRA2A (0.51) ADRA2AADRA2BADRA2CKMT2AMAPT
Hydrochloric Acid SCHEMBL29506964 0.99 ADRA2A (0.51) ADRA2AADRA2BADRA2CKMT2AMAPT
SCHEMBL10692431 0.99 ADRA2A (0.49) ADRA2AADRA2BADRA2CKMT2AMAPT
Hydrochloric Acid SCHEMBL9825988 0.99 ADRA2A (0.51) ADRA2AADRA2BADRA2CKMT2AMAPT
Hydrochloric Acid SCHEMBL10689374 0.99 ADRA2A (0.51) ADRA2AADRA2BADRA2CKMT2AMAPT
SCHEMBL9824640 0.99 ADRA2A (0.49) ADRA2AADRA2BADRA2CKMT2AMAPT
SCHEMBL9825379 0.99 ADRA2A (0.49) ADRA2AADRA2BADRA2CKMT2AMAPT
SCHEMBL9825774 0.98 ADRA2A (0.50) ADRA2AADRA2BADRA2CKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0167371-B1 DIHYDROPYRIDINE COMPOUNDS, THEIR PRODUCTION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-03-06 EP claimed
US-4727082-A CARDIOVASCULAR DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1988-02-23 US claimed
EP-0167371-A2 Dihydropyridine compounds, their production, and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1986-01-08 EP claimed
US-20230346820-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF SARS-COV-2 THE SCRIPPS RESEARCH INSTITUTE 2023-11-02 US disclosed
EP-0167371-B1 DIHYDROPYRIDINE COMPOUNDS, THEIR PRODUCTION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-03-06 EP disclosed
US-4843085-A LOCAL ANESTHETICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1989-06-27 US disclosed
US-4727082-A CARDIOVASCULAR DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1988-02-23 US disclosed
EP-0167371-A2 Dihydropyridine compounds, their production, and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1986-01-08 EP 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 (1 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-20230346820-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF SARS-COV-2 ACE2, SARS1, ACE ADRA2A 1438/4885ADRA2B 1817/4885ADRA2C 1378/4885

“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.