SCHEMBL3465729

SCHEMBL3465729

COC(=O)C(C)(C)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP11B1 P15538 1/20 0.61
CYP11B2 P19099 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
CYP19A1 P11511 8/20 0.58
CYP17A1 P05093 5/20 0.58
ALDH1A1 P00352 1/20 0.50
PLCG1 P19174 1/20 0.47
KCNN4 O15554 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 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
SCHEMBL8585041 0.85 LMNA (0.51) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL1225868 0.82 TDP1 (0.56) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL5805659 0.82 LMNA (0.49) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL4702232 0.80 LMNA (0.67) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL12928714 0.80 LMNA (0.67) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL30981000 0.79 LMNA (0.61) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL5225651 0.79 LMNA (0.61) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL8283521 0.79 LMNA (0.65) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL19779527 0.78 CNR1 (0.41) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL3276922 0.78 CYP19A1 (0.57) LMNACYP19A1CYP17A1ALDH1A1PLCG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767690-B2 Amino alcohol derivatives and their use as renin inhibitor NOVARTIS AG (CH) 2010-08-03 US disclosed
US-20080058320-A1 Organic Compounds NOVARTIS AG (CH) 2008-03-06 US disclosed
EP-1725530-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-11-29 EP disclosed
EP-1711456-A2 AMINO ALCOHOL DERIVATIVES AND THEIR USE AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2006-10-18 EP disclosed
WO-2005090304-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-09-29 WO disclosed
WO-2005070870-A2 AMINO ALCOHOL DERIVATIVES 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 (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-20080058320-A1 Organic Compounds REN, AGTR1, ADH1C LMNA 3013/4885CYP1A2 74/4885CYP3A4 96/4885

“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.