SCHEMBL1179347

SCHEMBL1179347

CCOC(=O)c1cc(C)c(Br)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 9/20 0.50
GABRG2 P18507 9/20 0.50
GABRB3 P28472 9/20 0.50
GABRA5 P31644 9/20 0.50
GABRA3 P34903 9/20 0.50
GABRA2 P47869 9/20 0.50
GABRA4 P48169 8/20 0.50
GABRA6 Q16445 8/20 0.50
GABRP O00591 6/20 0.50
GABRD O14764 6/20 0.50
GABRB1 P18505 6/20 0.50
GABRB2 P47870 6/20 0.50
GABRE P78334 6/20 0.50
GABRG1 Q8N1C3 6/20 0.50
GABRG3 Q99928 6/20 0.50
GABRQ Q9UN88 6/20 0.50
CYP1A2 P05177 1/20 0.50
MAPT P10636 5/20 0.48
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 3/20 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
SCHEMBL26899199 0.86 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17559377 0.84 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3110544 0.83 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1459953 0.83 MAPK1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1425475 0.81 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20752332 0.80 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30937534 0.80 MAPT (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL24665060 0.79 HPGD (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29977825 0.79 HPGD (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19231419 0.79 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368123-A1 AROMATIC RING-CONTAINING BIOLOGICAL ANTAGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-11-07 US disclosed
EP-4393920-A1 AROMATIC RING-CONTAINING BIOLOGICAL ANTAGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2024-07-03 EP disclosed
EP-2925322-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2018-10-24 EP disclosed
US-9777002-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-10-03 US disclosed
US-20160304506-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-10-20 US disclosed
US-20160304506-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-10-20 US disclosed
US-9399638-B2 Substituted pyridine compounds as CRAC modulators LUPIN LIMITED (IN) 2016-07-26 US disclosed
US-9399638-B2 Substituted pyridine compounds as CRAC modulators LUPIN LIMITED (IN) 2016-07-26 US disclosed
US-20150299198-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME CORP. (US) 2015-10-22 US disclosed
EP-2925322-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2015-10-07 EP disclosed
EP-2195311-B1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-23 EP disclosed
US-20110046170-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-02-24 US disclosed
CN-101965346-A Novel pyrimidine-pyridine derivatives ACTELION PHARMACEUTICALS LTD 2011-02-02 CN disclosed
US-20100331372-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2010-12-30 US disclosed
EP-2262800-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-12-22 EP disclosed
EP-2252609-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS Actelion Pharmaceuticals Ltd. (CH) 2010-11-24 EP disclosed
EP-2195311-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2010-06-16 EP disclosed
WO-2009109907-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-09-11 WO disclosed
WO-2009109872-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2009-09-11 WO disclosed
WO-2009024905-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2009-02-26 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 (5 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-20150299198-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 GABRA1 1325/4885GABRG2 2150/4885GABRB3 1781/4885
US-20100331372-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS IL2, FCGRT, CD4 GABRA1 2227/4885GABRG2 2705/4885GABRB3 3022/4885
US-20160304506-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 GABRA1 520/4885GABRG2 680/4885GABRB3 609/4885
US-20110046170-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES TYMP, DPYD, ENTPD5 GABRA1 2137/4885GABRG2 2459/4885GABRB3 1840/4885
US-20240368123-A1 AROMATIC RING-CONTAINING BIOLOGICAL ANTAGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF REN, BDKRB2, BDKRB1 GABRA1 172/4885GABRG2 383/4885GABRB3 314/4885

“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.