SCHEMBL3090997

SCHEMBL3090997

O=C(O)Cn1c2c(c3c(C(=O)Cc4ccccc4)cccc31)CNCC2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.47
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2C9 P11712 2/20 0.41
PTGER2 P43116 1/20 0.41
PTGDR Q13258 1/20 0.41
LMNA P02545 1/20 0.36

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
SCHEMBL5780801 0.79 MAPT (0.43) PTGDR2HDAC1HDAC6MEN1KMT2A
SCHEMBL5627158 0.77 KDM4E (0.67) PTGDR2HDAC1HDAC6MEN1KMT2A
SCHEMBL5751797 0.77 KDM4E (0.40) PTGDR2HDAC1HDAC6MEN1KMT2A
Hydrochloric Acid SCHEMBL3094504 0.76 KDM4E (0.65) PTGDR2HDAC1HDAC6MEN1KMT2A
SCHEMBL6482979 0.71 KDM4E (0.46) PTGDR2HDAC1HDAC6MEN1KMT2A
Hydrochloric Acid SCHEMBL6484333 0.69 KDM4E (0.71) PTGDR2HDAC1HDAC6MEN1KMT2A
Hydrochloric Acid SCHEMBL3084889 0.68 PTGDR2 (0.58) PTGDR2HDAC1HDAC6MEN1KMT2A
Hydrochloric Acid SCHEMBL3090237 0.68 PTGDR2 (0.58) PTGDR2HDAC1HDAC6MEN1KMT2A
SCHEMBL16381991 0.66 BAZ2B (0.60) PTGDR2HDAC1HDAC6MEN1KMT2A
SCHEMBL6782959 0.65 KDM4E (0.41) PTGDR2MEN1KMT2AKDM4EGLA

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
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 170/4885HDAC1 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.