SCHEMBL3077946

SCHEMBL3077946

CC(C)(C)OC(=O)N1CCc2c(c3ccc(Cl)cc3n2CC(=O)O)C1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 3/20 0.62
PTGDR2 Q9Y5Y4 12/20 0.56
AKR1B10 O60218 1/20 0.52
AKR1B1 P15121 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
PTGER2 P43116 1/20 0.52
PTGDR Q13258 1/20 0.52
CYP2C9 P11712 1/20 0.49
KRAS P01116 1/20 0.47

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
SCHEMBL3089604 0.92 BAZ2B (0.74) BAZ2BPTGDR2AKR1B10AKR1B1HDAC1
SCHEMBL3084994 0.89 PTGDR2 (0.68) BAZ2BPTGDR2AKR1B10AKR1B1HDAC1
SCHEMBL2086484 0.85 PTGDR2 (0.72) BAZ2BPTGDR2AKR1B10AKR1B1HDAC1
SCHEMBL4722882 0.85 BAZ2B (0.53) BAZ2BPTGDR2AKR1B10AKR1B1PTGER2
SCHEMBL3083804 0.83 PTGDR2 (0.68) BAZ2BPTGDR2AKR1B10AKR1B1HDAC1
SCHEMBL3085456 0.82 KRAS (0.67) BAZ2BPTGDR2AKR1B10AKR1B1HDAC1
SCHEMBL3090435 0.82 PTGDR2 (0.67) BAZ2BPTGDR2AKR1B10AKR1B1HDAC1
SCHEMBL6482593 0.81 BAZ2B (0.49) BAZ2BPTGDR2AKR1B10AKR1B1HDAC1
SCHEMBL3085501 0.80 PTGDR2 (0.70) BAZ2BPTGDR2HDAC1HDAC6PTGER2
SCHEMBL3090026 0.79 PTGDR2 (0.85) BAZ2BPTGDR2PTGER2PTGDRCYP2C9

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 BAZ2B 2653/4885PTGDR2 170/4885AKR1B10 956/4885
US-20070191416-A1 Tetrahydropyridoindole derivatives TPH2, TPH1, HTR2C BAZ2B 2859/4885PTGDR2 154/4885AKR1B10 1008/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 BAZ2B 504/4885PTGDR2 59/4885AKR1B10 3815/4885

“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.