SCHEMBL3276922

SCHEMBL3276922

COC(=O)C(C)(C)c1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.57
CYP17A1 P05093 3/20 0.47
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
PLCG1 P19174 1/20 0.44
BRS3 P32247 1/20 0.43
KCNN4 O15554 1/20 0.42
LATS1 O95835 1/20 0.40
PTPRB P23467 1/20 0.39
SRC P12931 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL8974321 0.85 CNR1 (0.54) CYP19A1CNR1CNR2PLCG1BRS3
SCHEMBL1625320 0.80 CNR1 (0.47) CNR1CNR2BRS3KCNN4LMNA
SCHEMBL1970633 0.79 CYP19A1 (0.53) CYP19A1CYP17A1CNR2LATS1
SCHEMBL728471 0.79 KCNN4 (0.67) CNR1CNR2PLCG1KCNN4SRC
SCHEMBL5877921 0.79 MAPT (0.50) CNR1CNR2BRS3KCNN4LMNA
SCHEMBL3465729 0.78 LMNA (0.61) CYP19A1CYP17A1PLCG1KCNN4LMNA
Ammonia Solution, Strong SCHEMBL11249050 0.78 KCNN4 (0.64) CNR1CNR2PLCG1KCNN4SRC
Hydrochloric Acid SCHEMBL27604363 0.78 KCNN4 (0.64) CNR1CNR2PLCG1KCNN4SRC
SCHEMBL3573740 0.78 CNR1 (0.53) CNR1CNR2BRS3KCNN4LMNA
SCHEMBL1107149 0.78 CNR2 (0.57) CNR1CNR2PLCG1BRS3KCNN4

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
EP-1756037-B1 AMINO ALCOHOL DERIVATIVES AND THEIR ACTIVITY AS RENIN INHIBITORS NOVARTIS AG (CH) 2010-12-15 EP disclosed
US-7786307-B2 suchas N-(4(S)-amino-5(S)-hydroxy-2(S)-isopropyl-6-piperidin-1-ylhexyl)-2-(3-methoxypropoxy)benzamide dihydrochloride, used for the treatment of hypertension, cardiovasculr disorders, complications owing to diabetes, vision deffects, hyperaldosteronism, states of anxiety and cognitive disorders NOVARTIS AG (CH) 2010-08-31 US disclosed
EP-1735270-B1 DIAMINO ALCOHOLS AND THEIR USE AS RENIN INHIBITORS NOVARTIS AG (CH) 2010-06-30 EP disclosed
US-7718675-B2 Diamino alcohols and their use as renin inhibitor SPEEDEL EXPERIMENTA AG (CH) 2010-05-18 US disclosed
US-20070161622-A1 6-Phenyl-2-hydroxy-1,3-hexanediamine derivatives, e.g., 1-{3(S)-Amino-2(S)-hydroxy-5(S)-[4-methoxy-3-(3-methoxypropoxy)benzyl]-methylheptyl}piperidin-2-one hydrochloride; treating hypertension, heart failure, glaucoma, cardiac infarction, kidney failure and restenosis SPEEDEL EXPERIMENTA AG (CH) 2007-07-12 US disclosed
US-20070155743-A1 Amino alcohol derivatives and their activity as renin inhibitors NOVARTIS PHARMA AG (CH) 2007-07-05 US disclosed
EP-1756037-A2 AMINO ALCOHOL DERIVATIVES AND THEIR ACTIVITY AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-02-28 EP disclosed
EP-1735270-A1 DIAMINO ALCOHOLS AND THEIR USE AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2006-12-27 EP disclosed
WO-2005070871-A2 AMINO ALCOHOL DERIVATIVES AND THEIR ACTIVITY AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2005-08-04 WO disclosed
WO-2005070877-A1 DIAMINO ALCOHOLS AND THEIR USE AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2005-08-04 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 (2 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-20070155743-A1 Amino alcohol derivatives and their activity as renin inhibitors REN, AGTR1, AGTR2 CYP19A1 3144/4885CYP17A1 1395/4885CNR1 1275/4885
US-20070161622-A1 6-Phenyl-2-hydroxy-1,3-hexanediamine derivatives, e.g., 1-{3(S)-Amino-2(S)-hydroxy-5(S)-[4-methoxy-3-(3-methoxypropoxy)benzyl]-methylheptyl}piperidin-2-one hydrochloride; treating hypertension, heart failure, glaucoma, cardiac infarction, kidney failure and restenosis REN, AGTR1, AGTR2 CYP19A1 3629/4885CYP17A1 1889/4885CNR1 619/4885

“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.