SCHEMBL5113566

SCHEMBL5113566

CCC(CC)NC(=O)Oc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.73
FAAH O00519 5/20 0.56
SLC1A3 P43003 1/20 0.53
LMNA P02545 3/20 0.51
POLB P06746 2/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 4/20 0.49
GAA P10253 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MIF P14174 1/20 0.49
RAB9A P51151 2/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL23766626 0.92 CYP1A2 (0.68) CYP1A2FAAHSLC1A3LMNAPOLB
SCHEMBL28226501 0.90 CYP1A2 (0.66) CYP1A2FAAHSLC1A3LMNAPOLB
SCHEMBL8692101 0.89 CYP1A2 (0.64) CYP1A2FAAHSLC1A3CYP3A4RAB9A
SCHEMBL20901379 0.86 CYP1A2 (0.61) CYP1A2FAAHSLC1A3POLBMEN1
SCHEMBL11060563 0.84 CYP1A2 (0.58) CYP1A2FAAHSLC1A3LMNAMEN1
SCHEMBL5658218 0.84 CYP1A2 (0.59) CYP1A2FAAHSLC1A3POLBMEN1
SCHEMBL14338246 0.83 CYP1A2 (0.58) CYP1A2FAAHSLC1A3POLBMEN1
SCHEMBL31115930 0.83 CYP1A2 (0.61) CYP1A2FAAHSLC1A3LMNAMEN1
SCHEMBL8604298 0.83 CYP1A2 (0.57) CYP1A2FAAHSLC1A3LMNAPOLB
SCHEMBL9263653 0.83 CYP1A2 (0.57) CYP1A2FAAHLMNAALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468380-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-23 US disclosed
US-7468380-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-23 US disclosed
CN-100339376-C Nitrogen-containing aromatic ring derivatives EISAI CO LTD (JP) 2007-09-26 CN disclosed
US-20070004764-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-01-04 US disclosed
US-20070004764-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-01-04 US disclosed
US-7109219-B2 Nitrogen-containing aromatic derivatives EISAI CO., LTD. (JP) 2006-09-19 US disclosed
US-20060004029-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-01-05 US disclosed
CN-1678607-A Nitrogen-containing aromatic ring derivatives EISAI CO LTD (JP) 2005-10-05 CN disclosed
US-20050187236-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-08-25 US disclosed
EP-1522540-A1 AZAARENE DERIVATIVES Eisai Co., Ltd. (JP) 2005-04-13 EP disclosed
US-4451406-A N-Substituted imido-dicarboxylic acid diaryl ester method of preparation BAYER AKTIENGESELLSCHAFT (DE) 1984-05-29 US disclosed
US-4447635-A N-Substituted imido-dicarboxylic acid diaryl ester compounds and herbicide intermediates BAYER AKTIENGESELLSCHAFT (DE) 1984-05-08 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 (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-20060004029-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 CYP1A2 81/4885FAAH 3105/4885SLC1A3 697/4885
US-20050187236-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 CYP1A2 81/4885FAAH 3105/4885SLC1A3 697/4885
US-20070004764-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 CYP1A2 81/4885FAAH 3105/4885SLC1A3 697/4885

“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.