SCHEMBL169947

SCHEMBL169947

O=C1CC=Nc2sccc21

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.35
PTPRC P08575 1/20 0.31

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
SCHEMBL13734481 0.77
SCHEMBL2423612 0.72 CDC7 (0.33) CES1
SCHEMBL6657093 0.70
SCHEMBL3944498 0.68 CES1 (0.35) CES1PTPRC
SCHEMBL14201295 0.64
SCHEMBL31116 0.63 MEN1 (0.35) CES1PTPRC
Iodide SCHEMBL7508635 0.61 S100A4 (0.34) CES1PTPRC
Fluoride SCHEMBL4741377 0.61 MEN1 (0.33) CES1PTPRC
Hydrochloric Acid SCHEMBL3646726 0.61 MEN1 (0.33) CES1PTPRC
Hydrochloric Acid SCHEMBL3397921 0.61 MEN1 (0.33) CES1PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257395-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-08-17 US disclosed
US-11661430-B2 Tetrazole derivatives as TRPA1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-05-30 US disclosed
US-8541462-B2 Tetrahydrocarbazole derivatives as ligands of G-protein coupled receptors AETERNA ZENTARIS GMBH (DE) 2013-09-24 US disclosed
US-8273716-B2 Use of LHRH antagonists for intermittent treatments SPECTRUM PHARMACEUTICALS, INC. (US) 2012-09-25 US disclosed
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2012-05-17 US disclosed
EP-1644342-B1 Arylpyrimidines useful for the treatment of sex hormone-related conditions such as endometriosis, prostate cancer and the like NEUROCRINE BIOSCIENCES INC (US) 2012-05-09 EP disclosed
US-8148546-B2 Tetrahydrocarbazole derivatives as ligands of G-protein coupled receptors AETERNA ZENTARIS GMBH (DE) 2012-04-03 US disclosed
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed
US-8067456-B2 Tetrahydrocarbazole derivatives having improved biological action and improved solubility as ligands of G-protein coupled receptors (GPCPs) AETERNA ZENTARIS GMBH (DE) 2011-11-29 US disclosed
EP-2278964-A1 USE OF LHRH ANTAGONISTS AT NON-CASTRATING DOSES Æterna Zentaris GmbH (DE) 2011-02-02 EP disclosed
EP-1185530-A1 IMIDAZO- AND PYRROLO[1,2-A]PYRIMID-4-ONES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS Neurocrine Biosciences, Inc. (US) 2002-03-13 EP disclosed
US-6346534-B1 IMIDAZOLO(1,2-A)- OR PYRROLO(1,2-A)-PYRIMIDONE DERIVATIVES; ANTICARCINOGENIC AGENTS; BENIGN PROSTATIC HYPERPLASIA; SEXUAL, GLANDULAR, SLEEP AND UROGENITAL DISORDERS; ENDOMETRIOSIS, IRRITABLE BOWEL SYNDROME NEUROCRINE BIOSCIENCES, INC. 2002-02-12 US disclosed
WO-2001055119-A2 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2001-08-02 WO disclosed
WO-2001029044-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2001-04-26 WO disclosed
WO-2000069859-A1 IMIDAZO- AND PYRROLO[1,2-A]PYRIMID-4-ONES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2000-11-23 WO disclosed
US-6015789-A LUTEINIZING HORMONE RELEASING HORMONE AGONIST AND A LUTEINIZING HORMONE RELEASING HORMONE ANTAGONIST IN COMBINATION, TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-01-18 US disclosed
US-5977132-A GALACTORRHEA, HYPERPROLACTINEMIC OVULATION, PROLACTINOMA AND BRAIN TUMORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-02 US disclosed
EP-0906115-A1 COMBINED USE OF GnRH AGONIST AND ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 1999-04-07 EP disclosed
WO-1997040846-A1 COMBINED USE OF GnRH AGONIST AND ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-11-06 WO disclosed
EP-0781774-A2 Prolactin production inhibitory agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-02 EP 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 (3 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-20230257395-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS TRPA1, TRPV1, TRPV5 CES1 3981/4885PTPRC 989/4885
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 CES1 874/4885PTPRC 2117/4885
US-11661430-B2 Tetrazole derivatives as TRPA1 inhibitors TRPA1, TRPV1, TRPV5 CES1 3965/4885PTPRC 941/4885

“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.