SCHEMBL769859

SCHEMBL769859

C[C@H](c1ccccc1)N1C/C(=N\O)C2(CC2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
HSD11B1 P28845 2/20 0.41
MAPK1 P28482 7/20 0.38
OPRL1 P41146 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
METAP2 P50579 2/20 0.37
CYP2D6 P10635 1/20 0.37
P2RX7 Q99572 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL769861 1.00 KMT2A (0.41) KMT2AHSD11B1MAPK1OPRL1OPRM1
SCHEMBL769860 1.00 KMT2A (0.41) KMT2AHSD11B1MAPK1OPRL1OPRM1
SCHEMBL785824 1.00 KMT2A (0.41) KMT2AHSD11B1MAPK1OPRL1OPRM1
SCHEMBL13484126 0.95 HSD11B1 (0.39) KMT2AHSD11B1MAPK1OPRL1OPRM1
SCHEMBL3203744 0.95 HSD11B1 (0.39) KMT2AHSD11B1MAPK1OPRL1OPRM1
SCHEMBL3195911 0.95 HSD11B1 (0.39) KMT2AHSD11B1MAPK1OPRL1OPRM1
SCHEMBL3189312 0.84 KMT2A (0.42) KMT2AHSD11B1MAPK1METAP2CYP2D6
SCHEMBL20183391 0.84 KMT2A (0.42) KMT2AHSD11B1MAPK1METAP2CYP2D6
SCHEMBL3189307 0.84 KMT2A (0.42) KMT2AHSD11B1MAPK1METAP2CYP2D6
SCHEMBL20183392 0.84 KMT2A (0.42) KMT2AHSD11B1MAPK1METAP2CYP2D6

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
EP-2437601-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GlaxoSmithKline LLC (US) 2012-04-11 EP disclosed
US-20120071459-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXOSMITHKLINE LLC 2012-03-22 US disclosed
US-20120071459-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXOSMITHKLINE LLC 2012-03-22 US disclosed
WO-2010141545-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2010-12-09 WO disclosed
US-RE41149-E1 Stereoisomerically pure 7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-1-[(1R,2S)-2-fluoro-1-cyclopropyl]-8-methoxy-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid or a pharmaceutically acceptable salt thereof; antibacterial agents DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-02-23 US disclosed
EP-0593766-B1 PYRIDONECARBOXYLIC ACID DERIVATIVE DAIICHI SEIYAKU CO (JP) 2000-09-06 EP disclosed
US-6031102-A Optically active pyridonecarboxylic acid derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-02-29 US disclosed
EP-0529688-B1 Azaspiro(n,m)alkanes and diazaspiro(n,m)-alkanes DAIICHI SEIYAKU CO (JP) 1997-11-12 EP disclosed
US-5587386-A BACTERICIDES, MICROBIOCIDES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-12-24 US disclosed
US-5508428-A Spiro compound DAIICHI PHAMACEUTICAL CO., LTD. (JP) 1996-04-16 US disclosed
EP-0593766-A1 PYRIDONECARBOXYLIC ACID DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed
EP-0357047-B1 Spiro compounds DAIICHI SEIYAKU CO (JP) 1993-11-03 EP 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-20120071459-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS MCHR1, MCHR2, MC1R KMT2A 2648/4885HSD11B1 788/4885MAPK1 1104/4885

“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.