SCHEMBL832500

SCHEMBL832500

NC1CCc2c(c3ccccc3n2CC(=O)O)C1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.65
KDM4E B2RXH2 3/20 0.64
GLA P06280 2/20 0.64
MEN1 O00255 1/20 0.64
CASP1 P29466 1/20 0.64
CASP7 P55210 1/20 0.64
KMT2A Q03164 1/20 0.64
HSD17B10 Q99714 1/20 0.64
PTGDR Q13258 5/20 0.57
TBXA2R P21731 4/20 0.57
CYP2C9 P11712 2/20 0.54
ALDH1A1 P00352 1/20 0.51
PTGER2 P43116 1/20 0.49

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
SCHEMBL16561901 1.00 PTGDR2 (0.65) PTGDR2KDM4EGLAMEN1CASP1
Hydrochloric Acid SCHEMBL3020304 0.99 PTGDR2 (0.64) PTGDR2KDM4EGLAMEN1CASP1
Hydrochloric Acid SCHEMBL3020302 0.99 PTGDR2 (0.64) PTGDR2KDM4EGLAMEN1CASP1
SCHEMBL16559078 0.89 KDM4E (0.67) PTGDR2KDM4EGLAMEN1CASP1
SCHEMBL13273561 0.89 KDM4E (0.67) PTGDR2KDM4EGLAMEN1CASP1
SCHEMBL4509853 0.86 PTGDR2 (0.77) PTGDR2KDM4EGLAMEN1CASP1
SCHEMBL13677407 0.85 PTGDR2 (0.52) PTGDR2KDM4EGLAMEN1CASP1
SCHEMBL27989288 0.83 KDM4E (0.59) PTGDR2KDM4EGLAMEN1CASP1
SCHEMBL2493010 0.83 PTGDR2 (0.47) PTGDR2KDM4EGLAMEN1CASP1
Bromide SCHEMBL2430564 0.83 KDM4E (0.58) PTGDR2KDM4EGLAMEN1CASP1

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210348139-A1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2021-11-11 US disclosed
WO-2021066136-A1 THERAPEUTIC AGENT FOR MUSCULAR DYSTROPHY 国立大学法人東京大学 2021-04-08 WO disclosed
US-20200123512-A1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2020-04-23 US disclosed
US-10544402-B2 Biocatalysts and methods for synthesizing derivatives of tryptamine and tryptamine analogs CODEXIS INC. (US) 2020-01-28 US disclosed
EP-2828385-B1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS CODEXIS INC (US) 2018-02-07 EP disclosed
US-20170283781-A1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2017-10-05 US disclosed
US-9708588-B2 Biocatalysts and methods for synthesizing derivatives of tryptamine and tryptamine analogs CODEXIS, INC. (US) 2017-07-18 US disclosed
US-20160289649-A1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2016-10-06 US disclosed
EP-2697223-B1 7-(HETEROARYL-AMINO)-6,7,8,9-TETRAHYDROPYRIDO[1,2-A]INDOL ACETIC ACID DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2016-07-13 EP disclosed
US-9388395-B2 Biocatalysts and methods for synthesizing derivatives of tryptamine and tryptamine analogs CODEXIS, INC. (US) 2016-07-12 US 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
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
CN-101500996-A (3-amino-1,2,3,4-tetrahydro-9h-carbazol-9-yl)-acetic acid derivatives ACTELION PHARMACEUTICALS LTD (CH) 2009-08-05 CN disclosed
CN-101500996-A (3-amino-1,2,3,4-tetrahydro-9h-carbazol-9-yl)-acetic acid derivatives ACTELION PHARMACEUTICALS LTD (CH) 2009-08-05 CN disclosed
EP-2051962-A1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-04-29 EP disclosed
EP-2051962-A1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-04-29 EP disclosed
EP-2051962-A1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-04-29 EP disclosed
WO-2008017989-A1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-02-14 WO disclosed
WO-2008017989-A1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-02-14 WO disclosed
WO-2008017989-A1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-02-14 WO 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 4/4885KDM4E 3845/4885GLA 2580/4885

“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.