SCHEMBL3085941

SCHEMBL3085941

CCOc1ccc2ccccc2c1C(=O)N1CCc2c(c3cc(Cl)ccc3n2CC(=O)O)C1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.69
PTGDR Q13258 5/20 0.69
PTGER2 P43116 3/20 0.69
BAZ2B Q9UIF8 2/20 0.61
CYP2C9 P11712 2/20 0.54
AKR1B10 O60218 1/20 0.50
AKR1B1 P15121 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL3096501 0.92 PTGDR2 (0.71) PTGDR2PTGDRPTGER2BAZ2BCYP2C9
SCHEMBL3077957 0.91 PTGDR2 (0.70) PTGDR2PTGDRPTGER2CYP2C9AKR1B10
SCHEMBL3077954 0.91 PTGDR2 (0.66) PTGDR2PTGDRPTGER2CYP2C9ALDH1A1
SCHEMBL3089827 0.90 PTGDR2 (0.69) PTGDR2PTGDRPTGER2CYP2C9
SCHEMBL3098268 0.90 PTGDR2 (0.57) PTGDR2PTGDRPTGER2CYP2C9AKR1B10
SCHEMBL3089738 0.86 PTGDR2 (0.66) PTGDR2PTGDRPTGER2CYP2C9AKR1B10
SCHEMBL3085023 0.83 PTGDR2 (0.72) PTGDR2PTGDRPTGER2CYP2C9AKR1B10
SCHEMBL3090542 0.82 PTGDR2 (0.68) PTGDR2PTGDRPTGER2CYP2C9
SCHEMBL3083833 0.82 PTGDR2 (1.00) PTGDR2PTGDRPTGER2BAZ2BCYP2C9
SCHEMBL3091141 0.82 PTGDR2 (0.71) PTGDR2PTGDRPTGER2CYP2C9

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 13 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
US-7714132-B2 Tetrahydropyridoindole derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-05-11 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
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 170/4885PTGDR 135/4885PTGER2 351/4885
US-20070191416-A1 Tetrahydropyridoindole derivatives TPH2, TPH1, HTR2C PTGDR2 154/4885PTGDR 119/4885PTGER2 213/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 PTGDR2 59/4885PTGDR 108/4885PTGER2 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.