SCHEMBL12243308

SCHEMBL12243308

CC(=O)NCC1CN(C(C)(C)C)C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.43
MAOB P27338 2/20 0.43
LMNA P02545 1/20 0.43
PTGS1 P23219 1/20 0.43
CALML3 P27482 1/20 0.43
SDHA P31040 1/20 0.43
HTR2B P41595 1/20 0.41
MTNR1A P48039 1/20 0.40
F10 P00742 2/20 0.39
ABCB11 O95342 1/20 0.38
CMA1 P23946 1/20 0.36
RORC P51449 1/20 0.35

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
SCHEMBL9611099 1.00 MAOA (0.43) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL10151438 0.80 MAOA (0.46) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL20751435 0.80 MAOA (0.46) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL5878430 0.77 HTR2B (0.46) MAOAMAOBCALML3HTR2B
SCHEMBL9488919 0.77 HTR2B (0.46) MAOAMAOBCALML3HTR2B
SCHEMBL9489070 0.77 HTR2B (0.46) MAOAMAOBCALML3HTR2B
SCHEMBL12294536 0.77 MAOA (0.44) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL14168335 0.77 MAOA (0.44) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL10504741 0.76 CA2 (0.42) MAOAHTR2B
SCHEMBL9489050 0.76 CA2 (0.42) MAOAHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10723746-B2 Oxazolidinone-quinolone hybrid antibacterials for the parenteral treatment or prophylaxis of bacterial diseases Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2020-07-28 US disclosed
US-8017779-B2 Nitrogen containing heterocyclyl substituted imidazoquinolines and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-09-13 US disclosed
US-20070213356-A1 Nitrogen-Containing Heterocyclyl Substituted Imidazoquinolines and Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2007-09-13 US 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-20070213356-A1 Nitrogen-Containing Heterocyclyl Substituted Imidazoquinolines and Imidazonaphthyridines IL2, IFNG, IRF3 MAOA 3603/4885MAOB 3460/4885LMNA 3850/4885
US-10723746-B2 Oxazolidinone-quinolone hybrid antibacterials for the parenteral treatment or prophylaxis of bacterial diseases NQO2, OXA1L, QARS1 MAOA 2656/4885MAOB 1564/4885LMNA 3425/4885

“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.