SCHEMBL4896034

SCHEMBL4896034

CC(Oc1[c]cccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
FFAR1 O14842 1/20 0.37
NUDT1 P36639 1/20 0.36
ALOX5 P09917 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
TAAR1 Q96RJ0 3/20 0.34
RORC P51449 2/20 0.34
HTR6 P50406 2/20 0.34
LTB4R Q15722 3/20 0.33
LTB4R2 Q9NPC1 3/20 0.33
IGLV6-57 P01721 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL14648029 0.86 SLC6A4 (0.34) SLC6A4
SCHEMBL14648169 0.86 ADRB2 (0.37) ADRA2ARORCHTR6SLC6A4
SCHEMBL3326062 0.81 SRC (0.30)
SCHEMBL10497076 0.81 CES2 (0.32) TAAR1
SCHEMBL7471512 0.80 SRD5A2 (0.36) ADRA2AADRA2BHTR6SLC6A4
SCHEMBL3140126 0.80
SCHEMBL7590298 0.80 UGT2B7 (0.46) ADRA2AADRA2BADRA2CSLC6A4
SCHEMBL14647918 0.80 PDE2A (0.41) SLC6A4
SCHEMBL130062 0.79 KMT2A (0.34)
SCHEMBL11401037 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322816-A1 PYRAZOLE BORONIC ACID COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USES THEREOF BEIJING SONGRUN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-10-12 US claimed
CN-114075227-B Pyrazole boric acid compound, pharmaceutical composition containing pyrazole boric acid compound and application of pyrazole boric acid compound and pharmaceutical composition 北京嵩润医药科技有限责任公司 2023-07-04 CN claimed
EP-4201941-A1 PYRAZOLE BORONIC ACID COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USES THEREOF Beijing Songrun Pharmaceutical Technology Co., Ltd. (CN) 2023-06-28 EP claimed
CN-114075227-A Pyrazole boronic acid compounds, pharmaceutical compositions comprising the same and uses thereof 北京大学 2022-02-22 CN claimed
CN-107074788-A Substituted heterocyclic derivatives, preparation method and application thereof 厦门大学 2017-08-18 CN claimed
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 US claimed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US claimed
EP-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP claimed
US-20020165218-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. 2002-11-07 US claimed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 WO claimed
US-20230322816-A1 PYRAZOLE BORONIC ACID COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USES THEREOF BEIJING SONGRUN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-10-12 US disclosed
CN-114075227-B Pyrazole boric acid compound, pharmaceutical composition containing pyrazole boric acid compound and application of pyrazole boric acid compound and pharmaceutical composition 北京嵩润医药科技有限责任公司 2023-07-04 CN disclosed
EP-4201941-A1 PYRAZOLE BORONIC ACID COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USES THEREOF Beijing Songrun Pharmaceutical Technology Co., Ltd. (CN) 2023-06-28 EP disclosed
CN-114075227-A Pyrazole boronic acid compounds, pharmaceutical compositions comprising the same and uses thereof 北京大学 2022-02-22 CN disclosed
CN-107074788-A Substituted heterocyclic derivatives, preparation method and application thereof 厦门大学 2017-08-18 CN disclosed
EP-0468470-B1 Benzimidazoles, medicaments containing them and process for their preparation THOMAE GMBH DR K (DE) 1997-04-16 EP disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP disclosed
US-5453427-A Control phytopathogenic fungi especially in monocotelydons, podery mildew and rust SANDOZ LTD. (CH) 1995-09-26 US disclosed
EP-0634405-A1 Pyrimidinyl acrylic acid derivatives, process for their preparation and their use for the control of phytopathogens SANDOZ LTD. (CH) 1995-01-18 EP disclosed
US-4613611-A HYPOGLYCEMIC AGENTS AMERICAN CYANAMID COMPANY (US) 1986-09-23 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 (4 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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 ADRA2A 1209/4885ADRA2B 815/4885ADRA2C 238/4885
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 ADRA2A 936/4885ADRA2B 280/4885ADRA2C 159/4885
US-20230322816-A1 PYRAZOLE BORONIC ACID COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USES THEREOF PSMB11, PSMB7, PSMC5 ADRA2A 3038/4885ADRA2B 1931/4885ADRA2C 2525/4885
US-20020165218-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 ADRA2A 4205/4885ADRA2B 4042/4885ADRA2C 3732/4885

“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.