SCHEMBL3094730

SCHEMBL3094730

O=C(O)Cn1c2c(c3ccccc31)CN(C(=O)c1ccc(C3CCCCC3)cc1)CC2

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.76
CYP2C9 P11712 3/20 0.76
PTGER2 P43116 2/20 0.66
PTGDR Q13258 2/20 0.66
HDAC1 Q13547 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55

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
SCHEMBL3071152 0.87 PTGDR2 (1.00) PTGDR2CYP2C9PTGER2PTGDR
SCHEMBL3097060 0.85 PTGDR2 (0.87) PTGDR2CYP2C9PTGER2PTGDR
SCHEMBL3090829 0.84 PTGDR2 (0.85) PTGDR2CYP2C9PTGER2PTGDRHDAC1
SCHEMBL3077791 0.84 PTGDR2 (0.85) PTGDR2CYP2C9PTGER2PTGDRHDAC1
SCHEMBL3087513 0.83 PTGDR2 (0.87) PTGDR2CYP2C9PTGER2PTGDR
SCHEMBL3074185 0.82 PTGDR2 (1.00) PTGDR2CYP2C9PTGER2PTGDR
SCHEMBL3088197 0.81 PTGDR2 (0.80) PTGDR2CYP2C9PTGER2PTGDRHDAC1
SCHEMBL3086290 0.81 PTGDR2 (0.80) PTGDR2CYP2C9PTGER2PTGDRHDAC1
SCHEMBL3087327 0.81 PTGDR2 (0.80) PTGDR2CYP2C9PTGER2PTGDR
SCHEMBL3094364 0.80 PTGDR2 (1.00) PTGDR2CYP2C9PTGER2PTGDRHDAC1

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 10 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
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
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
EP-1725553-A1 TETRAHYDROPYRIDOINDOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2006-11-29 EP disclosed
WO-2005095397-A1 TETRAHYDROPYRIDOINDOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-10-13 WO 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 102/4885PTGER2 351/4885
US-20070191416-A1 Tetrahydropyridoindole derivatives TPH2, TPH1, HTR2C PTGDR2 154/4885CYP2C9 67/4885PTGER2 213/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 PTGDR2 59/4885CYP2C9 2737/4885PTGER2 13/4885

“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.