SCHEMBL859654

SCHEMBL859654

CCn1cnc(C)c1CO

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.35
ADORA2A P29274 2/20 0.34
ADORA1 P30542 1/20 0.34
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
CDK1 P06493 2/20 0.33
CCNB1 P14635 2/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
ALDH1A1 P00352 1/20 0.31
PDXK O00764 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL15897041 0.83 ADORA2A (0.36) FDPSADORA2AADORA1PI4KAPI4K2B
SCHEMBL13059042 0.79 ADORA2A (0.34) FDPSADORA2AADORA1PI4KAPI4K2B
SCHEMBL31332871 0.79 MEN1 (0.33) FDPS
Hydrochloric Acid SCHEMBL858871 0.78 ADORA2A (0.33) FDPSADORA2AADORA1PI4KAPI4K2B
SCHEMBL31332840 0.78 ADORA2A (0.33) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL31333034 0.78 ADORA2A (0.33) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL861750 0.78 NPSR1 (0.34) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL3579547 0.77 CSNK2A2 (0.42) FDPSALDH1A1
SCHEMBL31332943 0.75 ADORA2A (0.32) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL11211782 0.74 CYP11B1 (0.47) ADORA2API4KAPI4K2BPI4K2API4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002360-A1 Heterocycloalkyl compounds as CCR2 / CCR5 antagonists Wuxi Life Fountain Biotech Co., Ltd. (CN) 2023-01-05 US disclosed
EP-3988098-A1 HETEROCYCLO ALKYL COMPOUNDS USED AS CCR2/CCR5 ANTAGONIST Shenzhen Lingfang Biotech Co., Ltd (CN) 2022-04-27 EP disclosed
EP-3567028-B1 BIPHENYL COMPOUND AS CCR2/CCR5 RECEPTOR ANTAGONIST MEDSHINE DISCOVERY INC (CN) 2022-01-05 EP disclosed
US-11155523-B2 Biphenyl compound as CCR2/CCR5 receptor antagonist MEDSHINE DISCOVERY, INC. (CN) 2021-10-26 US disclosed
US-20200223801-A1 Biphenyl Compound As CCR2/CCR5 Receptor Antagonist MEDSHINE DISCOVERY, INC. (CN) 2020-07-16 US disclosed
EP-3567028-A1 BIPHENYL COMPOUND AS CCR2/CCR5 RECEPTOR ANTAGONIST Medshine Discovery Inc. (CN) 2019-11-13 EP disclosed
EP-2432776-B1 METHYL SULFANYL PYRIMIDINES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS UNIV LAVAL (CA) 2019-09-11 EP disclosed
EP-2432776-B1 METHYL SULFANYL PYRIMIDINES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS UNIV LAVAL (CA) 2019-09-11 EP disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-9040538-B2 Pyrimidines as novel therapeutic agents UNIVERSITE LAVAL (CA) 2015-05-26 US disclosed
US-9040538-B2 Pyrimidines as novel therapeutic agents UNIVERSITE LAVAL (CA) 2015-05-26 US disclosed
US-9040538-B2 Pyrimidines as novel therapeutic agents UNIVERSITE LAVAL (CA) 2015-05-26 US disclosed
CN-102414241-A Microencapsulated composition containing imidazole compound, curable composition using same, and masterbatch-type curing agent ASAHI KASEI E MATERIALS CORP 2012-04-11 CN disclosed
EP-2432776-A1 METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS Chlorion Pharma, Inc. (CA) 2012-03-28 EP disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
WO-2010132999-A1 METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS CHLORION PHARMA, INC. (CA) 2010-11-25 WO disclosed
WO-2010132999-A1 METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS CHLORION PHARMA, INC. (CA) 2010-11-25 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 (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-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP FDPS 116/4885ADORA2A 101/4885ADORA1 82/4885
US-11155523-B2 Biphenyl compound as CCR2/CCR5 receptor antagonist CCR2, CCR5, CCRL2 FDPS 3366/4885ADORA2A 410/4885ADORA1 700/4885
US-20200223801-A1 Biphenyl Compound As CCR2/CCR5 Receptor Antagonist CCR2, CCR5, CCRL2 FDPS 3366/4885ADORA2A 410/4885ADORA1 700/4885
US-20230002360-A1 Heterocycloalkyl compounds as CCR2 / CCR5 antagonists CCR2, CCR5, CCRL2 FDPS 2621/4885ADORA2A 500/4885ADORA1 836/4885

“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.