SCHEMBL833776

SCHEMBL833776

COc1cccc2c1CC(C(=O)N[C@H]1CCc3c(c4cc(F)ccc4n3CC(=O)O)C1)CC2

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.59
MTNR1A P48039 4/20 0.55
MTNR1B P49286 4/20 0.55
TBXA2R P21731 1/20 0.49
PTGDR Q13258 1/20 0.49
CYP1A2 P05177 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL833777 1.00 PTGDR2 (0.59) PTGDR2MTNR1AMTNR1BTBXA2RPTGDR
SCHEMBL833391 0.88 PTGDR2 (0.67) PTGDR2TBXA2RPTGDR
SCHEMBL833392 0.88 PTGDR2 (0.67) PTGDR2TBXA2RPTGDR
SCHEMBL1904003 0.85 MTNR1A (0.53) PTGDR2MTNR1AMTNR1BCYP1A2MAPT
SCHEMBL1904002 0.85 MTNR1A (0.53) PTGDR2MTNR1AMTNR1BCYP1A2MAPT
SCHEMBL831426 0.83 PTGDR2 (0.69) PTGDR2TBXA2RPTGDR
SCHEMBL832332 0.83 PTGDR2 (0.69) PTGDR2TBXA2RPTGDR
SCHEMBL831425 0.83 PTGDR2 (0.69) PTGDR2TBXA2RPTGDR
SCHEMBL831729 0.80 PTGDR2 (0.67) PTGDR2TBXA2RPTGDR
SCHEMBL831728 0.80 PTGDR2 (0.67) PTGDR2TBXA2RPTGDR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143304-B2 (3-amino-1,2,3,4-tetrahydro-9 H-carbazol-9-yl)-acetic acid derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2012-03-27 US claimed
US-20100190830-A1 (3-Amino-1,2,3,4-Tetrahydro-9H-Carbazol-9-yl)-Acetic Acid Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-29 US claimed
US-8143304-B2 (3-amino-1,2,3,4-tetrahydro-9 H-carbazol-9-yl)-acetic acid derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2012-03-27 US disclosed
EP-2051962-B1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-26 EP disclosed
EP-2316824-A1 (3-Amino-1,2,3,4-tetrahydro-9H-carbazoI-9-yl)-acetic acid derivates Actelion Pharmaceuticals Ltd. (CH) 2011-05-04 EP disclosed
US-20100190830-A1 (3-Amino-1,2,3,4-Tetrahydro-9H-Carbazol-9-yl)-Acetic Acid Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-29 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 (1 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-20100190830-A1 (3-Amino-1,2,3,4-Tetrahydro-9H-Carbazol-9-yl)-Acetic Acid Derivatives PTGDR, PTGER1, PTGIR PTGDR2 4/4885MTNR1A 148/4885MTNR1B 116/4885

“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.