SCHEMBL2799016

SCHEMBL2799016

CC(C)(C)OC(=O)N(CCCc1ccccc1)C1CCN(C(=O)C(F)(F)F)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.47
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
OPRM1 P35372 9/20 0.41
MAOA P21397 4/20 0.41
MAOB P27338 4/20 0.41
PKM P14618 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
NISCH Q9Y2I1 2/20 0.41
SIGMAR1 Q99720 2/20 0.40
MCHR1 Q99705 1/20 0.39

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
SCHEMBL11999861 0.89 HSD11B1 (0.49) HSD11B1KMT2AOPRM1MAOAMAOB
SCHEMBL5036916 0.86 OPRM1 (0.45) MEN1KMT2AOPRM1MAOAMAOB
SCHEMBL28855466 0.82 MEN1 (0.50) HSD11B1MEN1KMT2AOPRM1
SCHEMBL2800413 0.81 L3MBTL1 (0.42) HSD11B1
SCHEMBL5534758 0.76 OPRM1 (0.60) OPRM1PKMSIGMAR1
Hydrochloric Acid SCHEMBL7467240 0.76 L3MBTL1 (0.48) MEN1KMT2AOPRM1PKMSIGMAR1
SCHEMBL2795908 0.76 GPR119 (0.39) HSD11B1MEN1KMT2A
SCHEMBL28741984 0.75 OPRM1 (0.53) MEN1KMT2AOPRM1PKMSIGMAR1
SCHEMBL12396244 0.75 HSD11B1 (0.55) HSD11B1MEN1KMT2AJAK2JAK1
SCHEMBL20660332 0.74 SMN1; SMN2 (0.53) HSD11B1MEN1KMT2AJAK2JAK1

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 9 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-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 US disclosed
EP-2468743-A1 Nitrogen-containing bicyclic compounds useful as antibacterial agents Toyama Chemical Co., Ltd. (JP) 2012-06-27 EP disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 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-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 HSD11B1 1549/4885MEN1 1971/4885KMT2A 1173/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 HSD11B1 3376/4885MEN1 2461/4885KMT2A 2354/4885

“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.