SCHEMBL834407

SCHEMBL834407

O=C(O)Cn1c2c(c3ccccc31)C[C@H](NC(=O)Nc1cccc3ccccc13)CC2

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.56
PTGDR Q13258 4/20 0.55
TBXA2R P21731 3/20 0.55
KDM4E B2RXH2 4/20 0.51
EPHX1 P07099 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
CCKBR P32239 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
CYP2C9 P11712 1/20 0.48
PTGER2 P43116 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
SCHEMBL834408 1.00 PTGDR2 (0.56) PTGDR2PTGDRTBXA2RKDM4EEPHX1
SCHEMBL834104 0.87 PTGDR2 (0.70) PTGDR2PTGDRTBXA2RKDM4EMEN1
SCHEMBL834105 0.87 PTGDR2 (0.70) PTGDR2PTGDRTBXA2RKDM4EMEN1
SCHEMBL833576 0.83 PTGDR2 (0.65) PTGDR2PTGDRTBXA2RKDM4EMEN1
SCHEMBL834409 0.82 PTGDR2 (0.59) PTGDR2PTGDRTBXA2RKDM4EEPHX1
SCHEMBL833926 0.82 PTGDR2 (0.59) PTGDR2PTGDRTBXA2RKDM4EEPHX1
SCHEMBL833925 0.82 PTGDR2 (0.59) PTGDR2PTGDRTBXA2RKDM4EEPHX1
SCHEMBL832017 0.81 PTGDR2 (0.65) PTGDR2PTGDRTBXA2RKDM4EMEN1
SCHEMBL1902548 0.81 KDM4E (0.49) KDM4EEPHX1SIGMAR1CCKBRMEN1
SCHEMBL1902546 0.81 KDM4E (0.49) KDM4EEPHX1SIGMAR1CCKBRMEN1

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 4/4885PTGDR 1/4885TBXA2R 7/4885

“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.