SCHEMBL3984793

SCHEMBL3984793

CC(C)(C)OC(=O)N1CCCC(O)(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MKNK1 Q9BUB5 1/20 0.40
DRD2 P14416 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ESR2 Q92731 1/20 0.39
OPRM1 P35372 1/20 0.38
USP30 Q70CQ3 1/20 0.38
PROKR1 Q8TCW9 1/20 0.38
OPRK1 P41145 1/20 0.38
RORC P51449 1/20 0.38

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
SCHEMBL3118407 0.93 CCR5 (0.47) CCR5MEN1KMT2ADRD2USP30
SCHEMBL654359 0.85 CCR5 (0.47) CCR5MEN1KMT2ADRD2
SCHEMBL30022483 0.85 CCR5 (0.43) CCR5MEN1KMT2AMKNK1PDE4A
SCHEMBL3466112 0.84 CCR5 (0.48) CCR5MEN1KMT2APDE4APDE4B
SCHEMBL3466111 0.84 CCR5 (0.48) CCR5MEN1KMT2APDE4APDE4B
SCHEMBL3467818 0.83 CCR5 (0.42) CCR5MEN1KMT2AMKNK1PDE4A
SCHEMBL3467820 0.83 CCR5 (0.42) CCR5MEN1KMT2AMKNK1PDE4A
SCHEMBL1279704 0.83 USP2 (0.45) CCR5MEN1KMT2AESR2
SCHEMBL2425248 0.83 RORC (0.44) CCR5MEN1KMT2ADRD2USP30
SCHEMBL13345602 0.82 CCR5 (0.51) CCR5PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240270705-A1 COMPOUNDS SELECTIVE FOR JAK1 AND METHODS OF USE VIVIDION THERAPEUTICS, INC. 2024-08-15 US disclosed
WO-2022251280-A1 COMPOUNDS SELECTIVE FOR JAK1 AND METHODS OF USE VIVIDION THERAPEUTICS, INC. (US) 2022-12-01 WO disclosed
EP-2061461-B1 3-AZABICYCLO[4.1.0]HEPTANE DERIVATIVES FOR THE TREATMENT OF DEPRESSION GLAXO GROUP LTD (GB) 2009-12-23 EP disclosed
EP-2061461-B1 3-AZABICYCLO[4.1.0]HEPTANE DERIVATIVES FOR THE TREATMENT OF DEPRESSION GLAXO GROUP LTD (GB) 2009-12-23 EP disclosed
US-20090281135-A1 3-AZABICYCLO [4. 1. 0] HEPTANE DERIVATIVES FOR THE TREATMENT OF DEPRESSION GLAXO GROUP LIMITED (GB) 2009-11-12 US disclosed
US-20090281135-A1 3-AZABICYCLO [4. 1. 0] HEPTANE DERIVATIVES FOR THE TREATMENT OF DEPRESSION GLAXO GROUP LIMITED (GB) 2009-11-12 US disclosed
US-20090281135-A1 3-AZABICYCLO [4. 1. 0] HEPTANE DERIVATIVES FOR THE TREATMENT OF DEPRESSION GLAXO GROUP LIMITED (GB) 2009-11-12 US disclosed
EP-2061461-A2 3-AZABICYCLO[4.1.0]HEPTANE DERIVATIVES FOR THE TREATMENT OF DEPRESSION Glaxo Group Limited (GB) 2009-05-27 EP disclosed
WO-2008031771-A2 3-AZABICYCLO [4. 1. 0] HEPTANE DERIVATIVES FOR THE TREATMENT OF DEPRESSION GLAXO GROUP LIMITED (GB) 2008-03-20 WO disclosed
WO-2008031771-A2 3-AZABICYCLO [4. 1. 0] HEPTANE DERIVATIVES FOR THE TREATMENT OF DEPRESSION GLAXO GROUP LIMITED (GB) 2008-03-20 WO disclosed
US-6403612-B2 UREA CONTAINING COMPOUNDS INHIBIT THE AGGREGATION OF BLOOD PLATELETS; NONTOXIC MERCK & CO., INC. 2002-06-11 US disclosed
US-20010044454-A1 Thrombin receptor antagonists MERCK SHARP & DOHME CORP. 2001-11-22 US disclosed
US-5726313-A Substituted arylaliphatic compounds, method of preparing them and pharmaceutical compositions in which they are present SANOFI (FR) 1998-03-10 US disclosed
WO-1995026338-A1 NEUROKININ RECEPTOR ANTAGONISTS SANOFI (FR) 1995-10-05 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 (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-20090281135-A1 3-AZABICYCLO [4. 1. 0] HEPTANE DERIVATIVES FOR THE TREATMENT OF DEPRESSION HTR5A, ADRA2C, SLC6A3 CCR5 139/4885MEN1 2019/4885KMT2A 4471/4885
US-20240270705-A1 COMPOUNDS SELECTIVE FOR JAK1 AND METHODS OF USE JAK2, JAK1, JAK3 CCR5 465/4885MEN1 3479/4885KMT2A 1674/4885
US-20010044454-A1 Thrombin receptor antagonists F2R, TBXA2R, PTAFR CCR5 1022/4885MEN1 2309/4885KMT2A 4089/4885

“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.