SCHEMBL831860

SCHEMBL831860

COc1ccccc1CCC(=O)N[C@H]1CCc2c(c3cc(F)cc(Cl)c3n2CC(=O)O)C1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.51
PTGDR Q13258 3/20 0.43
PTGER2 P43116 1/20 0.43
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
TBXA2R P21731 1/20 0.42
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL833313 1.00 PTGDR2 (0.51) PTGDR2PTGDRPTGER2MTNR1AMTNR1B
SCHEMBL831861 1.00 PTGDR2 (0.51) PTGDR2PTGDRPTGER2MTNR1AMTNR1B
SCHEMBL833763 0.91 PTGDR2 (0.53) PTGDR2PTGDRPTGER2TBXA2RCYP2C9
SCHEMBL832095 0.91 PTGDR2 (0.53) PTGDR2PTGDRPTGER2TBXA2RCYP2C9
SCHEMBL832096 0.91 PTGDR2 (0.53) PTGDR2PTGDRPTGER2TBXA2RCYP2C9
SCHEMBL830361 0.90 PTGDR2 (0.51) PTGDR2PTGDRPTGER2TBXA2R
SCHEMBL832057 0.90 PTGDR2 (0.51) PTGDR2PTGDRPTGER2TBXA2R
SCHEMBL830360 0.90 PTGDR2 (0.51) PTGDR2PTGDRPTGER2TBXA2R
SCHEMBL831299 0.89 PTGDR2 (0.52) PTGDR2PTGDRPTGER2TBXA2RCYP2C9
SCHEMBL831298 0.89 PTGDR2 (0.52) PTGDR2PTGDRPTGER2TBXA2RCYP2C9

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 7 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
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 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 4/4885PTGDR 1/4885PTGER2 5/4885

“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.