SCHEMBL832274

SCHEMBL832274

CCCCNC(=O)N[C@H]1CCc2c(c3ccccc3n2CC(=O)O)C1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.55
TBXA2R P21731 5/20 0.55
PTGDR Q13258 5/20 0.55
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
GLA P06280 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ABCB11 O95342 1/20 0.45
CYP2C9 P11712 1/20 0.45
DRD1 P21728 1/20 0.45
CCKAR P32238 1/20 0.45

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
SCHEMBL830727 1.00 PTGDR2 (0.55) PTGDR2TBXA2RPTGDRKDM4EMEN1
SCHEMBL830728 1.00 PTGDR2 (0.55) PTGDR2TBXA2RPTGDRKDM4EMEN1
SCHEMBL831289 0.87 PTGDR2 (0.56) PTGDR2TBXA2RPTGDRKDM4EMEN1
SCHEMBL833688 0.87 PTGDR2 (0.56) PTGDR2TBXA2RPTGDRKDM4EMEN1
SCHEMBL831290 0.87 PTGDR2 (0.56) PTGDR2TBXA2RPTGDRKDM4EMEN1
SCHEMBL833925 0.86 PTGDR2 (0.59) PTGDR2TBXA2RPTGDRKDM4EMEN1
SCHEMBL833926 0.86 PTGDR2 (0.59) PTGDR2TBXA2RPTGDRKDM4EMEN1
SCHEMBL834409 0.86 PTGDR2 (0.59) PTGDR2TBXA2RPTGDRKDM4EMEN1
SCHEMBL3127128 0.85 PTGDR2 (0.58) PTGDR2TBXA2RPTGDRKDM4EMEN1
SCHEMBL830489 0.85 PTGDR2 (0.60) PTGDR2TBXA2RPTGDRKDM4EMEN1

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-2316824-A1 (3-Amino-1,2,3,4-tetrahydro-9H-carbazoI-9-yl)-acetic acid derivates Actelion Pharmaceuticals Ltd. (CH) 2011-05-04 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 4/4885TBXA2R 7/4885PTGDR 1/4885

“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.