SCHEMBL11999861

SCHEMBL11999861

CC(=O)N1CCC(N(CCCc2ccccc2)C(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.49
OPRM1 P35372 7/20 0.43
MAOA P21397 4/20 0.43
MAOB P27338 4/20 0.43
ALDH1A1 P00352 3/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
NISCH Q9Y2I1 2/20 0.43
LMNA P02545 1/20 0.42
PTBP1 P26599 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CCR5 P51681 2/20 0.42

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
SCHEMBL2799016 0.89 HSD11B1 (0.47) HSD11B1OPRM1MAOAMAOBPKM
SCHEMBL2800413 0.83 L3MBTL1 (0.42) HSD11B1
SCHEMBL28855466 0.83 MEN1 (0.50) HSD11B1OPRM1KMT2A
SCHEMBL18163683 0.81 HSD11B1 (0.48) HSD11B1KMT2AJAK2JAK1CCR5
SCHEMBL23697502 0.79 HSD11B1 (0.47) HSD11B1ALDH1A1KMT2AJAK2JAK1
SCHEMBL4205921 0.78 OPRM1 (0.49) OPRM1ALDH1A1KMT2ASIGMAR1CCR5
SCHEMBL28741984 0.77 OPRM1 (0.53) OPRM1PKMKMT2ASIGMAR1
SCHEMBL20660332 0.77 SMN1; SMN2 (0.53) HSD11B1KMT2AJAK2JAK1CCR5
SCHEMBL2827198 0.77 SMN1; SMN2 (0.53) HSD11B1KMT2AJAK2JAK1CCR5
SCHEMBL18154298 0.76 HSD11B1 (0.41) HSD11B1ALDH1A1KMT2ALMNAPTBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 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 (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-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 HSD11B1 3376/4885OPRM1 1016/4885MAOA 2843/4885

“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.