SCHEMBL8784605

SCHEMBL8784605

Cc1cnc2c(c1)CCC=C2

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 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
SCHEMBL13459861 0.80 CCR1 (0.34) CCR1CCR5CCR8NOS3NOS1
SCHEMBL20020427 0.77 NOS3 (0.31) NOS3NOS1NOS2
SCHEMBL15479688 0.77
SCHEMBL30774215 0.73 HTT (0.36)
SCHEMBL17675123 0.70 NNMT (0.49)
SCHEMBL23394674 0.69
SCHEMBL19157444 0.69 CCR1 (0.32) CCR1CCR5CCR8NOS3NOS1
SCHEMBL9538730 0.68
SCHEMBL29909946 0.68
SCHEMBL15760112 0.68 GSK3A (0.36) CCR1CCR5CCR8NOS3NOS1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020227484-A1 SUBSTITUTED BENZIMIDAZOLONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-12 WO disclosed
EP-3287459-B1 PURINYL-N-HYDROXYL PYRIMIDINE FORMAMIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF GUIZHOU BAILING GROUP PHARMACEUTICAL CO LTD (CN) 2020-09-02 EP disclosed
US-10183949-B2 Pyrimidinone derivative having autotaxin-inhibitory activity THE UNIVERSITY OF TOKYO (JP) 2019-01-22 US disclosed
EP-2935248-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-02-28 EP disclosed
EP-2703392-B1 5-MEMBERED RING AROMATIC HETEROCYCLIC DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO (JP) 2017-06-14 EP disclosed
EP-0395244-B1 Pyridine derivatives WYETH JOHN & BROTHER LTD (GB) 1997-02-19 EP disclosed
US-5194439-A 5-HT Agonists or Antagonists, Nervous System Disorders, Hypotensive Agents JOHN WYETH & BROTHER LIMITED (GB) 1993-03-16 US disclosed
US-5075303-A Central nervous system disorders JOHN WYETH & BROTHER LIMITED (GB) 1991-12-24 US disclosed
EP-0395244-A1 Pyridine derivatives JOHN WYETH & BROTHER LIMITED (GB) 1990-10-31 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-10183949-B2 Pyrimidinone derivative having autotaxin-inhibitory activity ENPP2, ITPA, IMPA1 CCR1 3502/4885CCR5 3305/4885CCR8 2810/4885

“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.