SCHEMBL3081592

SCHEMBL3081592

O=C(O)Cn1c2c(c3ccccc31)CN(C(=O)OCc1ccccc1)CC2

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.71
HDAC1 Q13547 2/20 0.68
HDAC6 Q9UBN7 2/20 0.68
CYP2C9 P11712 3/20 0.67
PTGER2 P43116 2/20 0.61
PTGDR Q13258 2/20 0.61
AKR1B10 O60218 1/20 0.58
AKR1B1 P15121 1/20 0.58
HDAC10 Q969S8 1/20 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
KRAS P01116 1/20 0.54

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
SCHEMBL2087562 0.89 PTGDR2 (0.75) PTGDR2HDAC1HDAC6CYP2C9PTGER2
SCHEMBL3090631 0.84 PTGDR2 (0.71) PTGDR2HDAC1HDAC6CYP2C9PTGER2
SCHEMBL13011574 0.83 HDAC1 (0.61) PTGDR2HDAC1HDAC6CYP2C9HDAC10
SCHEMBL3090992 0.83 PTGDR2 (1.00) PTGDR2HDAC1HDAC6CYP2C9PTGER2
SCHEMBL2086484 0.83 PTGDR2 (0.72) PTGDR2HDAC1HDAC6CYP2C9PTGER2
SCHEMBL3078562 0.83 PTGDR2 (0.62) PTGDR2HDAC1HDAC6CYP2C9PTGER2
SCHEMBL3082812 0.82 PTGDR2 (1.00) PTGDR2HDAC6CYP2C9PTGER2PTGDR
SCHEMBL8039548 0.81 HDAC6 (0.69) PTGDR2HDAC1HDAC6AKR1B10AKR1B1
SCHEMBL3077204 0.81 PTGDR2 (0.74) PTGDR2HDAC1HDAC6CYP2C9PTGER2
SCHEMBL3088048 0.81 PTGDR2 (0.80) PTGDR2HDAC1HDAC6CYP2C9PTGER2

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
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
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 170/4885HDAC1 827/4885HDAC6 124/4885
US-20070191416-A1 Tetrahydropyridoindole derivatives TPH2, TPH1, HTR2C PTGDR2 154/4885HDAC1 1551/4885HDAC6 351/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 PTGDR2 59/4885HDAC1 257/4885HDAC6 102/4885

“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.