SCHEMBL3077136

SCHEMBL3077136

CCCCCC(C)(C)c1cc(Cc2cc(C(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c(O)c(C(C)(C)CCCCC)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 16/20 0.37
CNR2 P34972 15/20 0.37
GPR18 Q14330 3/20 0.37
GPR55 Q9Y2T6 3/20 0.37
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.32

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
SCHEMBL3072179 0.97 CNR1 (0.39) CNR1CNR2GPR18GPR55NPC1
SCHEMBL3090860 0.96 CNR2 (0.37) CNR1CNR2GPR18GPR55NPC1
SCHEMBL3078801 0.92 CNR1 (0.37) CNR1CNR2GPR18GPR55NPC1
SCHEMBL258641 0.92 CNR1 (0.41) CNR1CNR2GPR18GPR55NPC1
SCHEMBL3067221 0.91 NPC1 (0.43) CNR1CNR2GPR18GPR55NPC1
SCHEMBL673359 0.89 CNR1 (0.40) CNR1CNR2GPR18GPR55NPC1
SCHEMBL551721 0.89 HSPA5 (0.45) CNR1CNR2GPR18GPR55NPC1
SCHEMBL22289027 0.88 CNR1 (0.42) CNR1CNR2GPR18GPR55NPC1
Bisoctrizole SCHEMBL5994398 0.87 CNR2 (0.39) CNR1CNR2GPR18GPR55NPC1
SCHEMBL3075839 0.87 NPC1 (0.38) NPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106470973-B Small molecule L FA-1 inhibitor 阿罗赛特制药公司 2020-08-04 CN disclosed
CN-109422765-A C class beta-lactamase inhibitor and its preparation method and application 香港理工大学深圳研究院 2019-03-05 CN disclosed
US-20190040008-A1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2019-02-07 US disclosed
CN-108778273-A bicyclic aryl monocyclic β -lactam compounds and methods of use thereof for treating bacterial infections 默沙东公司 2018-11-09 CN disclosed
US-10077238-B2 Small molecule LFA-1 inhibitors ALLOCYTE PHARMACEUTICALS AG (CH) 2018-09-18 US disclosed
CN-104910329-B A kind of polar cyclic olefin copolymer and preparation method thereof 天津大学 2017-08-22 CN disclosed
US-20170121284-A1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2017-05-04 US disclosed
EP-3154941-A1 SMALL MOLECULE LFA-1 INHIBITORS AlloCyte Pharmaceuticals AG (CH) 2017-04-19 EP disclosed
CN-106470973-A Small molecule lfa-1 inhibitors 阿罗赛特制药公司 2017-03-01 CN disclosed
CN-103958521-B Pyrimidin-4-one derivatives and their use in the treatment, alleviation or prevention of viral diseases 弗·哈夫曼-拉罗切有限公司 2016-10-19 CN disclosed
EP-0847997-A1 Benzotriazolyl-alkylene bisphenol compounds, process for their preparation, and stabilized organic materials containing them Johoku Chemical Co., Ltd. (JP) 1998-06-17 EP disclosed
US-5703246-A REACTING AN ORGANOMETALLIC COMPOUND WITH ORGANOSULFUR COMPOUND ZENECA LIMITED (GB) 1997-12-30 US disclosed
WO-1997032883-A1 AZOLOBENZAZEPINE DERIVATIVES AS NEUROLOGICALLY ACTIVE AGENTS ZENECA LIMITED (GB) 1997-09-12 WO disclosed
EP-0724569-A1 PROCESS FOR THE PREPARATION OF AN OXIRANE, AZIRIDINE OR CYCLOPROPANE ZENECA LIMITED (GB) 1996-08-07 EP disclosed
WO-1995011230-A1 PROCESS FOR THE PREPARATION OF AN OXIRANE, AZIRIDINE OR CYCLOPROPANE ZENECA LIMITED (GB) 1995-04-27 WO disclosed
US-4235917-A N-Alkyl-N-acyl derivatives of thienamycin MERCK & CO., INC. (US) 1980-11-25 US disclosed
US-4235920-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-11-25 US disclosed
US-4181733-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-01-01 US disclosed
US-4172144-A Schiff's base derivatives of thienamycin MERCK & CO., INC. (US) 1979-10-23 US disclosed
US-4150145-A ANTIBIOTIC, BACTERICIDES MERCK & CO., INC. (US) 1979-04-17 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 (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-10077238-B2 Small molecule LFA-1 inhibitors ICAM1, VCAM1, ITGB1 CNR1 4142/4885CNR2 4744/4885GPR18 4132/4885
US-20190040008-A1 SMALL MOLECULE LFA-1 INHIBITORS ICAM1, VCAM1, ITGB1 CNR1 4142/4885CNR2 4744/4885GPR18 4132/4885
US-20170121284-A1 SMALL MOLECULE LFA-1 INHIBITORS ICAM1, VCAM1, ITGB1 CNR1 4142/4885CNR2 4744/4885GPR18 4132/4885

“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.