SCHEMBL6950827

SCHEMBL6950827

CCC(Oc1[c]cccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGLV6-57 P01721 1/20 0.37
LMNA P02545 2/20 0.37
SLC6A4 P31645 8/20 0.36
ALKBH1 Q13686 1/20 0.35
SLC7A5 Q01650 1/20 0.35
SLC6A2 P23975 6/20 0.33
CYP1A2 P05177 4/20 0.33
CYP3A4 P08684 4/20 0.33
CYP2D6 P10635 4/20 0.33
TSHR P16473 3/20 0.33
SLC6A3 Q01959 3/20 0.33
KMT2A Q03164 2/20 0.33
CHRM1 P11229 2/20 0.33
ADRA2B P18089 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HRH1 P35367 2/20 0.33
OPRM1 P35372 2/20 0.33
DRD3 P35462 2/20 0.33
OPRK1 P41145 2/20 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
SCHEMBL6580005 0.87 SLC6A4 (0.41) LMNASLC6A4SLC7A5SLC6A2CYP1A2
SCHEMBL6951984 0.82 SLC7A5 (0.41) LMNASLC6A4SLC7A5SLC6A2CYP1A2
SCHEMBL4793873 0.79
SCHEMBL20703823 0.78 MCHR1 (0.33)
SCHEMBL8678808 0.77 L3MBTL1 (0.33) LMNASLC6A4SLC6A2CYP1A2CYP2D6
SCHEMBL4896034 0.77 ADRA2A (0.40) IGLV6-57SLC6A4ADRA2B
SCHEMBL440263 0.77 MCHR1 (0.34) TSHRALDH1A1
SCHEMBL7471512 0.76 SRD5A2 (0.36) LMNASLC6A4SLC6A2CYP1A2CYP2D6
SCHEMBL8746389 0.75 PPARG (0.38) LMNASLC6A4SLC6A2CYP3A4CYP2D6
SCHEMBL11149147 0.75

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 16 patents. 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
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
EP-0711762-B1 PROCESS FOR PRODUCING TETRAZOLE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-08-06 EP disclosed
US-6277998-B1 REACTING 2-CYANO-4-OXO-4H-BENZOPYRAN COMPOUND WITH HYDROGEN SULFIDE AND THEN REACTING PROUDCT WITH ALKYL HALIDE; REACTING THE PRODUCT WITH HYDRAZINE OR ITS SALT AND THEN WITH NITROUS ACID COMPOUND TO OBTAIN TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-21 US disclosed
US-6191289-B1 REACTING A 4-OXO-4H-BENZOPYRAN GROUP SUBSTITUTED WITH AMIDE OR A PHENYL GROUP IN ITS 2 POSITION IS REACTED WITH ANHYDROUS HYDRAZINE OR SALT IN PRESENCE OF CATALYST FOLLOWED BY REACTING WITH NITROUS ACID OR SALT TO FORM TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-20 US disclosed
US-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed
US-5635508-A FUNGICIDES NOVARTIS AG (CH) 1997-06-03 US 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

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-20230322816-A1 PYRAZOLE BORONIC ACID COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USES THEREOF PSMB11, PSMB7, PSMC5 IGLV6-57 3489/4885LMNA 3364/4885SLC6A4 4486/4885

“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.