SCHEMBL373948

SCHEMBL373948

C[C@H](c1ccccc1)N1CC(=O)C2(CC2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.46
KMT2A Q03164 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPK1 P28482 5/20 0.42
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
OPRL1 P41146 2/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MC4R P32245 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
SCHEMBL769875 1.00 HSD11B1 (0.46) HSD11B1KMT2ACYP2D6MAPK1OPRM1
SCHEMBL13483585 0.94 HSD11B1 (0.44) HSD11B1KMT2ACYP2D6MAPK1OPRM1
SCHEMBL3190789 0.85 KMT2A (0.44) HSD11B1KMT2ACYP2D6MAPK1ALDH1A1
SCHEMBL3190794 0.85 KMT2A (0.44) HSD11B1KMT2ACYP2D6MAPK1ALDH1A1
SCHEMBL769860 0.82 KMT2A (0.41) HSD11B1KMT2ACYP2D6MAPK1OPRM1
SCHEMBL785824 0.82 KMT2A (0.41) HSD11B1KMT2ACYP2D6MAPK1OPRM1
SCHEMBL769859 0.82 KMT2A (0.41) HSD11B1KMT2ACYP2D6MAPK1OPRM1
SCHEMBL769861 0.82 KMT2A (0.41) HSD11B1KMT2ACYP2D6MAPK1OPRM1
SCHEMBL13484126 0.77 HSD11B1 (0.39) HSD11B1KMT2ACYP2D6MAPK1OPRM1
SCHEMBL3195911 0.77 HSD11B1 (0.39) HSD11B1KMT2ACYP2D6MAPK1OPRM1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2532657-B9 Compounds and methods of use SUNSHINE LAKE PHARMA CO LTD (CN) 2017-04-19 EP disclosed
EP-2532657-B1 Compounds and methods of use SUNSHINE LAKE PHARMA CO LTD (CN) 2016-08-31 EP disclosed
EP-2408300-B1 AMINO ESTER DERIVATIVES, SALTS THEREOF AND METHODS OF USE SUNSHINE LAKE PHARMA CO LTD (CN) 2016-05-11 EP disclosed
US-8426585-B2 Compounds comprising a spiro-ring Xi, Ning (US) 2013-04-23 US disclosed
US-20120315247-A1 COMPOUNDS COMPRISING A SPIRO-RING AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2012-12-13 US disclosed
EP-2532657-A2 Compounds and methods of use Sunshine Lake Pharma Co., Ltd (CN) 2012-12-12 EP disclosed
US-8293897-B2 Compounds comprising a spiro-ring and methods of use Xi, Ning (US) 2012-10-23 US disclosed
US-8232294-B2 Amino ester derivatives, sailts thereof and methods of use Xi, Ning (US) 2012-07-31 US 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
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
EP-0341493-B1 Optically active pyridonecarboxylic acid derivatives DAIICHI SEIYAKU CO (JP) 1999-07-14 EP disclosed
EP-0529688-B1 Azaspiro(n,m)alkanes and diazaspiro(n,m)-alkanes DAIICHI SEIYAKU CO (JP) 1997-11-12 EP 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
US-5286723-A Spiro compound DAIICHI SEIYAKU CO., LTD. 1994-02-15 US disclosed
EP-0357047-B1 Spiro compounds DAIICHI SEIYAKU CO (JP) 1993-11-03 EP disclosed
EP-0529688-A2 Azaspiro n,m alkanes and diazaspiro n,m -alkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 EP disclosed
EP-0357047-A1 Spiro compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-03-07 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 (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-20120315247-A1 COMPOUNDS COMPRISING A SPIRO-RING AND METHODS OF USE CDC42BPG, HRAS, PTPRJ HSD11B1 1161/4885KMT2A 3758/4885CYP2D6 4177/4885
US-20120071459-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS MCHR1, MCHR2, MC1R HSD11B1 788/4885KMT2A 2648/4885CYP2D6 557/4885

“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.