SCHEMBL457159

SCHEMBL457159

O=CC=Cc1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.61
CYP11B2 P19099 1/20 0.61
RAB9A P51151 3/20 0.58
MAPT P10636 3/20 0.58
NPC1 O15118 2/20 0.58
MAPK1 P28482 2/20 0.58
KDM4E B2RXH2 2/20 0.58
JUN P05412 1/20 0.58
NFKB1 P19838 1/20 0.58
GPR55 Q9Y2T6 1/20 0.58
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
LMNA P02545 2/20 0.56
ALDH1A1 P00352 2/20 0.56
ALOX5 P09917 2/20 0.56
TRPA1 O75762 1/20 0.56
VCP P55072 1/20 0.55
PFKFB3 Q16875 1/20 0.50
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47

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
SCHEMBL29881470 1.00 CYP11B1 (0.61) CYP11B1CYP11B2RAB9AMAPTNPC1
SCHEMBL457158 1.00 CYP11B1 (0.61) CYP11B1CYP11B2RAB9AMAPTNPC1
SCHEMBL6249186 0.92 CYP11B1 (0.57) CYP11B1CYP11B2RAB9AMAPTNPC1
SCHEMBL27626846 0.92 CYP11B1 (0.57) CYP11B1CYP11B2RAB9AMAPTNPC1
SCHEMBL29691639 0.82 CYP11B1 (0.86) CYP11B1CYP11B2RAB9AMAPTNPC1
SCHEMBL29691623 0.82 CYP11B1 (0.86) CYP11B1CYP11B2RAB9AMAPTNPC1
SCHEMBL6655801 0.81 MKNK1 (0.49) CYP11B1CYP11B2MAPK1MEN1LMNA
SCHEMBL6655803 0.81 MKNK1 (0.49) CYP11B1CYP11B2MAPK1MEN1LMNA
SCHEMBL29691514 0.80 CYP11B1 (0.82) CYP11B1CYP11B2RAB9AMAPTNPC1
SCHEMBL29691548 0.80 CYP11B1 (0.82) CYP11B1CYP11B2RAB9AMAPTNPC1

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 147 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116396272-A Preparation method of 2, 5-dihydropyrrolidine derivative and racemic nicotine 苏州大学 2023-07-07 CN claimed
WO-2023066190-A1 COMPOUNDS AND THEIR USES AS GPR183 INHIBITORS NANJING IMMUNOPHAGE BIOTECH CO., LTD (CN) 2023-04-27 WO claimed
CN-110938845-A Plating solution for electrolytic tinning 上村工业株式会社 2020-03-31 CN claimed
US-20200095698-A1 ELECTROLYTIC TIN PLATING SOLUTION C. UYEMURA & CO., LTD. (JP) 2020-03-26 US claimed
WO-2012145069-A2 MATERIALS AND METHODS USEFUL TO INDUCE CELL DEATH VIA METHUOSIS THE UNIVERSITY OF TOLEDO (US) 2012-10-26 WO claimed
US-20080091014-A1 Synthetic Method and Intermediates of Rosuvastatin Calcium and Preparation Methods of Intermediates ANHUI QUINGYUN PHARMACEUTICAL AND CHEMICAL CO., LTD. (CN) 2008-04-17 US claimed
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-08-30 US claimed
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-14 US claimed
US-7226921-B2 Compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-05 US claimed
US-7196099-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-27 US claimed
EP-1436255-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2004-07-14 EP claimed
US-20030199506-A1 Novel compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS INC. 2003-10-23 US claimed
US-20030158231-A1 Sulfonamide compounds as protease inhibitors Celera Corporation 2003-08-21 US claimed
WO-2003042197-A1 OLIGOPEPTIDES AND COMPOSITIONS CONTAINING THEM AS CATHEPSIN S INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2003-05-22 WO claimed
WO-2003024924-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2003-03-27 WO claimed
WO-2003024923-A1 SULFONAMIDE COMPOUNDS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-03-27 WO claimed
EP-1212302-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-06-12 EP claimed
WO-2001019796-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed
US-5302608-A Antidiabetic, anticholesterol agents; vision disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-12 US claimed
EP-0520336-A2 Aldehyde derivatives and their use as calpain inhibitors FUJIREBIO Inc. (JP) 1992-12-30 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors CTSS, CTSB, CTSE CYP11B1 3959/4885CYP11B2 4204/4885RAB9A 494/4885
US-20030158231-A1 Sulfonamide compounds as protease inhibitors PRSS1, PRSS3, SPINT2 CYP11B1 3357/4885CYP11B2 3427/4885RAB9A 2791/4885
US-20030199506-A1 Novel compounds and compositions as cathepsin S inhibitors CTSS, CTSB, CTSE CYP11B1 3741/4885CYP11B2 4270/4885RAB9A 500/4885
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE CYP11B1 3696/4885CYP11B2 4035/4885RAB9A 448/4885
US-20080091014-A1 Synthetic Method and Intermediates of Rosuvastatin Calcium and Preparation Methods of Intermediates KCNN4, HCN4, CACNB4 CYP11B1 779/4885CYP11B2 674/4885RAB9A 2670/4885

“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.