SCHEMBL13069840

SCHEMBL13069840

CCCc1ccnnc1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCGR P47871 10/20 0.35
CYP2E1 P05181 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2A6 P11509 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
HTR1A P08908 1/20 0.31

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
SCHEMBL10110580 0.84 GCGR (0.33) GCGR
SCHEMBL2894657 0.78 AOC1 (0.40)
SCHEMBL13028956 0.76
SCHEMBL28944228 0.75 CYP2E1 (0.35) CYP2E1CYP2C8CYP2D6CYP2A6CYP2C9
SCHEMBL23641297 0.74 GRM5 (0.44) GCGRADRA2AADRA2BADRA2CHTR1A
Ammonia Solution, Strong SCHEMBL28821972 0.74 CYP2E1 (0.34) CYP2E1CYP2C8CYP2D6CYP2A6CYP2C9
SCHEMBL7074479 0.74 CYP2E1 (0.34) CYP2E1CYP2C8CYP2D6CYP2A6CYP2C9
SCHEMBL21358990 0.72 NOS2 (0.40) CYP2E1CYP2C8CYP2D6CYP2A6CYP2C9
SCHEMBL19703040 0.72 CYP2E1 (0.33) CYP2E1CYP2C8CYP2D6CYP2A6CYP2C9
SCHEMBL27522603 0.72 CYP2E1 (0.33) CYP2E1CYP2C8CYP2D6CYP2A6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3246963-B1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO LTD (KR) 2023-05-31 EP disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 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 (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-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS P2RY1, P2RX7, P2RX1 GCGR 748/4885CYP2E1 863/4885CYP2C8 950/4885

“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.