SCHEMBL7039459

SCHEMBL7039459

CCOC(=O)CCc1ccnc(-c2cc(C)ccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.50
CYP4A11 Q02928 2/20 0.50
CCR1 P32246 1/20 0.47
CCR5 P51681 1/20 0.47
CCR8 P51685 1/20 0.47
SYK P43405 9/20 0.46
HRH3 Q9Y5N1 1/20 0.44
JMJD6 Q6NYC1 2/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
P2RY12 Q9H244 1/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
CYP4Z1 Q86W10 1/20 0.41

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
SCHEMBL21476190 0.83 CYP4F2 (0.47) CYP4F2CYP4A11SYKPDE3BPDE3A
SCHEMBL30096050 0.82 CCR1 (0.53) CCR1CCR5CCR8SYK
SCHEMBL17773802 0.82 CCR1 (0.53) CCR1CCR5CCR8SYK
SCHEMBL16318640 0.82 CYP4F2 (0.55) CYP4F2CYP4A11SYKPDE3BPDE3A
SCHEMBL10375080 0.82 SYK (0.54) CYP4F2CYP4A11SYKPDE3BPDE3A
SCHEMBL27224530 0.81 CYP4F2 (0.54) CYP4F2CYP4A11SYKPDE3BPDE3A
SCHEMBL10375085 0.81 CYP4F2 (0.54) CYP4F2CYP4A11SYKPDE3BPDE3A
SCHEMBL20103289 0.80 CYP4F2 (0.53) CYP4F2CYP4A11SYKPDE3BPDE3A
SCHEMBL16318580 0.80 CYP4F2 (0.56) CYP4F2CYP4A11SYKPDE3BPDE3A
SCHEMBL21476229 0.80 CYP4F2 (0.53) CYP4F2CYP4A11SYKPDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230100536-A1 INTERCELLULAR AND INTRACELLULAR PROXIMITY-BASED LABELING COMPOSITIONS AND SYSTEMS THE TRUSTEES OF PRINCETON UNIVERSITY 2023-03-30 US disclosed
EP-4097116-A1 INTERCELLULAR AND INTRACELLULAR PROXIMITY-BASED LABELING COMPOSITIONS AND SYSTEMS The Trustees of Princeton University (US) 2022-12-07 EP disclosed
CN-115397829-A Compositions and systems for intercellular and intracellular proximity-based labeling 普林斯顿大学理事会 2022-11-25 CN disclosed
WO-2003003009-A1 USE OF METAL-ION CHELATES IN VALIDATING BIOLOGICAL MOLECULES AS DRUG TARGETS IN TEST ANIMAL MODELS 7TM PHARMA A/S (DK) 2003-01-09 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 (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-20230100536-A1 INTERCELLULAR AND INTRACELLULAR PROXIMITY-BASED LABELING COMPOSITIONS AND SYSTEMS FIS1, MCU, TIMM10 CYP4F2 4253/4885CYP4A11 4879/4885CCR1 3442/4885

“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.