SCHEMBL210943

SCHEMBL210943

NCC(=O)N1CC[CH]CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
CPN1 P15169 1/20 0.41
CPB2 Q96IY4 1/20 0.41
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ATM Q13315 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DPP4 P27487 1/20 0.33
PREP P48147 1/20 0.33
FAP Q12884 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
TGM2 P21980 1/20 0.33

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
SCHEMBL18228152 0.86
SCHEMBL2431004 0.82 SIGMAR1 (0.45) SIGMAR1ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL1860296 0.82 ALDH1A1 (0.48) SIGMAR1CPN1CPB2ALDH1A1MEN1
SCHEMBL22814152 0.82
SCHEMBL2432132 0.79 ATM (0.48) SIGMAR1ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL196766 0.78 AKR1C3 (0.41) ALDH1A1MEN1KMT2AHSD17B10ATM
SCHEMBL17025695 0.77 ITGB3 (0.33) ALDH1A1MEN1KMT2AHSD17B10ATM
SCHEMBL16569256 0.77
SCHEMBL1857524 0.77 ATM (0.50) SIGMAR1CPN1CPB2ALDH1A1MEN1
SCHEMBL18228194 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105531264-B Antibacterial 2H-indazole derivatives 爱杜西亚药品有限公司 2018-04-10 CN claimed
EP-3044211-B1 ANTIBACTERIAL 2H-INDAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-01-03 EP claimed
US-9802901-B2 Antibacterial 2H-indazole derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-31 US claimed
US-20160221959-A1 ANTIBACTERIAL 2H-INDAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2016-08-04 US claimed
EP-3044211-A1 ANTIBACTERIAL 2H-INDAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd (CH) 2016-07-20 EP claimed
CN-105531264-A Antibacterial 2H-indazole derivatives ACTELION PHARMACEUTICALS LTD 2016-04-27 CN claimed
US-9227967-B2 Inhibitor compounds of semicarbazide-sensitive amine oxidases PROXIMAGEN LIMITED (GB) 2016-01-05 US claimed
WO-2015036964-A1 ANTIBACTERIAL 2H-INDAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-03-19 WO claimed
EP-2318412-B1 PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2013-08-14 EP claimed
US-20130102587-A1 New Enzyme Inhibitor Compounds PROXIMAGEN LIMITED (GB) 2013-04-25 US claimed
US-7074934-B2 An aromatic alkylamino compound containing a lipophilic group useful as antithrombotic agent as well as treats asthma TULARIK LIMITED (GB) 2006-07-11 US claimed
US-7067516-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2006-06-27 US claimed
US-20040116439-A1 Serine protease inhibitors TULARIK LIMITED (GB) 2004-06-17 US claimed
US-20030216403-A1 Serine protease inhibitors TULARIK LIMITED (GB) 2003-11-20 US claimed
EP-1343561-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2003-09-17 EP claimed
EP-1294691-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2003-03-26 EP claimed
EP-1240154-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2002-09-18 EP claimed
WO-2002047762-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2002-06-20 WO claimed
WO-2001096305-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-12-20 WO claimed
WO-2001044226-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-06-21 WO 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 (3 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-20160221959-A1 ANTIBACTERIAL 2H-INDAZOLE DERIVATIVES H1-3, MRPL21, H1-0 SIGMAR1 271/4885CPN1 3348/4885CPB2 4725/4885
US-20030216403-A1 Serine protease inhibitors SERPINB1, SERPINE1, PRSS1 SIGMAR1 3820/4885CPN1 100/4885CPB2 47/4885
US-20130102587-A1 New Enzyme Inhibitor Compounds SERPINB1, SSB, NFKBIA SIGMAR1 3768/4885CPN1 1729/4885CPB2 495/4885

“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.