SCHEMBL833696

SCHEMBL833696

O=C(O)Cn1c2c(c3cccc(Cl)c31)C[C@H](NC(=O)OCc1ccccc1)CC2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
ACHE P22303 2/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
PTGDR2 Q9Y5Y4 8/20 0.48
TSHR P16473 1/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
PTGDR Q13258 2/20 0.43
TBXA2R P21731 1/20 0.43
TLR4 O00206 1/20 0.41
EPHX1 P07099 1/20 0.41
DPP4 P27487 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL833697 1.00 CA1 (0.49) CA1CA2ACHEALDH1A1GAA
SCHEMBL834697 0.89 PTGDR2 (0.50) CA1CA2ACHEALDH1A1GAA
SCHEMBL833355 0.89 PTGDR2 (0.50) CA1CA2ACHEALDH1A1GAA
SCHEMBL833354 0.89 PTGDR2 (0.50) CA1CA2ACHEALDH1A1GAA
SCHEMBL833151 0.87 PTGDR2 (0.57) CA1CA2ACHEALDH1A1GAA
SCHEMBL833827 0.87 PTGDR2 (0.57) CA1CA2ACHEALDH1A1GAA
SCHEMBL833150 0.87 PTGDR2 (0.57) CA1CA2ACHEALDH1A1GAA
SCHEMBL834145 0.86 CA1 (0.44) CA1CA2ACHEALDH1A1GAA
SCHEMBL832982 0.86 CA1 (0.44) CA1CA2ACHEALDH1A1GAA
SCHEMBL832981 0.86 CA1 (0.44) CA1CA2ACHEALDH1A1GAA

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 CA1 2105/4885CA2 810/4885ACHE 1691/4885

“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.