SCHEMBL9854

SCHEMBL9854

OCC1CCCCC12OCCO2

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.36
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31

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
SCHEMBL712265 0.94 MAPT (0.33) IDO1TDO2MAPTGAA
SCHEMBL3384150 0.84 MAPT (0.44) IDO1TDO2MAPTGAA
SCHEMBL8352236 0.79 IDO1 (0.36) IDO1TDO2MAPTGAA
SCHEMBL8988199 0.79 IDO1 (0.36) IDO1TDO2
SCHEMBL13652549 0.75 IDO1 (0.34) IDO1TDO2GAA
SCHEMBL26885063 0.75 IDO1 (0.34) IDO1TDO2
SCHEMBL22881094 0.73 APLNR (0.33)
SCHEMBL27115656 0.72 IDO1 (0.32) IDO1TDO2
SCHEMBL17194021 0.72 IDO1 (0.32) IDO1TDO2
SCHEMBL27115657 0.72 IDO1 (0.32) IDO1TDO2

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
US-11834421-B2 Saturated-ring-fused dihydropyrimidinone or dihydrotriazinone compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2023-12-05 US disclosed
EP-2655370-B1 COMPOSITIONS AND METHODS FOR MODULATING FXR NOVARTIS AG (CH) 2017-08-02 EP disclosed
US-20150366856-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NOVARTIS AG (CH) 2015-12-24 US disclosed
US-20150366856-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NOVARTIS AG (CH) 2015-12-24 US disclosed
US-20150366856-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NOVARTIS AG (CH) 2015-12-24 US disclosed
US-9150568-B2 Compositions and methods for modulating FXR NOVARTIS AG (CH) 2015-10-06 US disclosed
US-9150568-B2 Compositions and methods for modulating FXR NOVARTIS AG (CH) 2015-10-06 US disclosed
US-9150568-B2 Compositions and methods for modulating FXR NOVARTIS AG (CH) 2015-10-06 US disclosed
US-8829196-B2 TRPA1 antagonists MERCK SHARP & DOHME CORP. (US) 2014-09-09 US disclosed
US-8829196-B2 TRPA1 antagonists MERCK SHARP & DOHME CORP. (US) 2014-09-09 US disclosed
US-20120196894-A1 NOVEL TRPA1 ANTAGONISTS SCHERING CORPORATION 2012-08-02 US disclosed
WO-2012087519-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2012-06-28 WO disclosed
WO-2012087519-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2012-06-28 WO disclosed
WO-2011043954-A1 NOVEL TRPA1 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-04-14 WO disclosed
WO-2011043954-A1 NOVEL TRPA1 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-04-14 WO disclosed
EP-1914232-B1 N-DIHYDROXYALKYL-SUBSTITUTED 2-OXOIMIDAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2010-12-15 EP disclosed
US-20080103178-A1 N-dihydroxyalkyl-substituted 2-oxo-imidazole derivatives MSD K.K. (JP) 2008-05-01 US disclosed
EP-1914232-A1 N-DIHYDROXYALKYL-SUBSTITUTED 2-OXOIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-23 EP disclosed
US-7300947-B2 N-dihydroxyalkyl-substituted 2-oxo-imidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-11-27 US disclosed
US-20070015792-A1 N-dihydroxyalkyl-substituted 2-oxo-imidazole derivatives MSD K.K. (JP) 2007-01-18 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 (5 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-11834421-B2 Saturated-ring-fused dihydropyrimidinone or dihydrotriazinone compounds and pharmaceutical use thereof RORC, RORB, RORA IDO1 1451/4885TDO2 785/4885MAPT 1809/4885
US-20070015792-A1 N-dihydroxyalkyl-substituted 2-oxo-imidazole derivatives OPRL1, OPRK1, GPR119 IDO1 582/4885TDO2 1697/4885MAPT 768/4885
US-20150366856-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 IDO1 2715/4885TDO2 2988/4885MAPT 4131/4885
US-20080103178-A1 N-dihydroxyalkyl-substituted 2-oxo-imidazole derivatives OPRL1, OPRK1, GPR119 IDO1 582/4885TDO2 1697/4885MAPT 768/4885
US-20120196894-A1 NOVEL TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 IDO1 1043/4885TDO2 1340/4885MAPT 1294/4885

“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.