SCHEMBL30006166

SCHEMBL30006166

COC(=O)[C@H](Cc1nn[nH]n1)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.42
CTSK P43235 4/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
NAALAD2 Q9Y3Q0 2/20 0.39
KDM6B O15054 1/20 0.38
KDM4A O75164 1/20 0.38
KDM5A P29375 1/20 0.38
TACR1 P25103 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
GSTP1 P09211 1/20 0.37
GSTM2 P28161 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL29123561 1.00 KLK5 (0.42) KLK5CTSKCA12CA1CA2
SCHEMBL16017462 0.88 NAALAD2 (0.49) CTSKNAALAD2KDM6BKDM4AKDM5A
SCHEMBL17477529 0.88 NAALAD2 (0.49) CTSKNAALAD2KDM6BKDM4AKDM5A
SCHEMBL14032545 0.79 KLK5 (0.48) KLK5CTSKCTSSCTSLCTSB
SCHEMBL29255012 0.79 MMEL1 (0.41) CA12CA1CA2CA9NAALAD2
SCHEMBL953399 0.79 NAALAD2 (0.67) CTSKCA12CA1CA2CA9
SCHEMBL953397 0.79 NAALAD2 (0.67) CTSKCA12CA1CA2CA9
SCHEMBL29039962 0.77 KLK5 (0.49) KLK5CTSKTACR1NFKB1NFKB2
SCHEMBL15459364 0.77 CTSK (0.42) KLK5CTSKCA1CA2TACR1
SCHEMBL23963096 0.74 KLK5 (0.47) KLK5CTSKTACR1NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4628163-A1 NOVEL HETEROARYL AMINOPROPANOL DERIVATIVES Novartis AG (CH) 2025-10-08 EP disclosed
EP-4323062-B1 HETEROARYL AMINOPROPANOL DERIVATIVES AS INHIBITORS OF LTA4H NOVARTIS AG (CH) 2025-07-23 EP disclosed
US-20240199593-A1 Novel Heteroaryl Aminopropanol Derivatives NOVARTIS PHARMA AG (CH) 2024-06-20 US disclosed
US-11932630-B2 Heteroaryl aminopropanol derivatives NOVARTIS AG (CH) 2024-03-19 US disclosed
EP-4323062-A1 HETEROARYL AMINOPROPANOL DERIVATIVES AS INHIBITORS OF LTA4H Novartis AG (CH) 2024-02-21 EP disclosed
US-20220348566-A1 Novel Heteroaryl Aminopropanol Derivatives NOVARTIS AG (CH) 2022-11-03 US disclosed
WO-2022219546-A1 HETEROARYL AMINOPROPANOL DERIVATIVES AS INHIBITORS OF LTA4H NOVARTIS AG (CH) 2022-10-20 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 (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-20220348566-A1 Novel Heteroaryl Aminopropanol Derivatives CYP11B2, CYP11B1, CYP3A43 KLK5 945/4885CTSK 2461/4885CA12 4018/4885
US-20240199593-A1 Novel Heteroaryl Aminopropanol Derivatives CYP3A43, CYP3A5, CYP51A1 KLK5 449/4885CTSK 634/4885CA12 4798/4885
US-11932630-B2 Heteroaryl aminopropanol derivatives CYP3A43, CYP11B2, ADRB3 KLK5 909/4885CTSK 2539/4885CA12 3777/4885

“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.