SCHEMBL3094307

SCHEMBL3094307

Cc1ccccc1NC(=O)N1CCc2c(c3ccccc3n2CC(=O)O)C1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.76
CYP2C9 P11712 3/20 0.64
PTGDR Q13258 3/20 0.58
PTGER2 P43116 2/20 0.58
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
GLA P06280 1/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
KMT2A Q03164 1/20 0.55
HSD17B10 Q99714 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
HDAC1 Q13547 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52

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
SCHEMBL3094732 0.90 PTGDR2 (0.66) PTGDR2CYP2C9PTGDRPTGER2KDM4E
SCHEMBL3087299 0.88 PTGDR2 (0.76) PTGDR2CYP2C9PTGDRPTGER2KDM4E
SCHEMBL3090993 0.88 PTGDR2 (0.76) PTGDR2CYP2C9PTGDRPTGER2KDM4E
SCHEMBL3087763 0.88 PTGDR2 (0.76) PTGDR2CYP2C9PTGDRPTGER2KDM4E
SCHEMBL3087694 0.87 PTGDR2 (0.74) PTGDR2CYP2C9PTGDRPTGER2KDM4E
SCHEMBL3084855 0.86 PTGDR2 (1.00) PTGDR2CYP2C9PTGDRPTGER2KDM4E
SCHEMBL3084743 0.86 PTGDR2 (0.86) PTGDR2CYP2C9PTGDRPTGER2KDM4E
SCHEMBL3085461 0.83 PTGDR2 (0.81) PTGDR2CYP2C9PTGDRPTGER2HDAC1
SCHEMBL3085644 0.83 PTGDR2 (0.74) PTGDR2CYP2C9PTGDRPTGER2KDM4E
SCHEMBL3087466 0.82 PTGDR2 (0.86) PTGDR2CYP2C9PTGDRPTGER2HDAC1

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-20100234396-A1 Tetrhydropyridoindole Derivatives ACTELION PHARMACEUTICALS LTD (CH) 2010-09-16 US claimed
EP-1725553-B1 TETRAHYDROPYRIDOINDOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-05-07 EP claimed
US-20070191416-A1 Tetrahydropyridoindole derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2007-08-16 US claimed
EP-1725553-A1 TETRAHYDROPYRIDOINDOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2006-11-29 EP claimed
WO-2005095397-A1 TETRAHYDROPYRIDOINDOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-10-13 WO claimed
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis ATOPIX THERAPEUTICS LTD (GB) 2014-11-06 US disclosed
EP-2790696-A1 COMBINATION OF CRTH2 ANTAGONIST AND A PROTON PUMP INHIBITOR FOR THE TREATMENT OF EOSINOPHILIC ESOPHAGITIS Atopix Therapeutics Limited (GB) 2014-10-22 EP disclosed
WO-2013088109-A1 COMBINATION OF CRTH2 ANTAGONIST AND A PROTON PUMP INHIBITOR FOR THE TREATMENT OF EOSINOPHILIC ESOPHAGITIS OXAGEN LIMITED (GB) 2013-06-20 WO disclosed
US-20100234396-A1 Tetrhydropyridoindole Derivatives ACTELION PHARMACEUTICALS LTD (CH) 2010-09-16 US disclosed
US-7714132-B2 Tetrahydropyridoindole derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-05-11 US disclosed
EP-1725553-B1 TETRAHYDROPYRIDOINDOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-05-07 EP disclosed
US-20070191416-A1 Tetrahydropyridoindole derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2007-08-16 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-20100234396-A1 Tetrhydropyridoindole Derivatives TPH2, TPH1, HTR5A PTGDR2 170/4885CYP2C9 102/4885PTGDR 135/4885
US-20070191416-A1 Tetrahydropyridoindole derivatives TPH2, TPH1, HTR2C PTGDR2 154/4885CYP2C9 67/4885PTGDR 119/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 PTGDR2 59/4885CYP2C9 2737/4885PTGDR 108/4885

“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.