SCHEMBL20076324

SCHEMBL20076324

c1cn(CC2CCCCCCCCCC2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 1.00
HRH4 Q9H3N8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
CYP19A1 P11511 11/20 0.46
TBXAS1 P24557 4/20 0.43
GAA P10253 1/20 0.42
QPCT Q16769 1/20 0.42
OGG1 O15527 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
SCHEMBL11047040 1.00 CYP2B6 (1.00) CYP2B6HRH4HRH3CYP19A1TBXAS1
SCHEMBL11046868 1.00 CYP2B6 (1.00) CYP2B6HRH4HRH3CYP19A1TBXAS1
SCHEMBL570574 1.00 CYP2B6 (1.00) CYP2B6HRH4HRH3CYP19A1TBXAS1
SCHEMBL11046639 1.00 CYP2B6 (1.00) CYP2B6HRH4HRH3CYP19A1TBXAS1
Water SCHEMBL29258020 0.98 CYP2B6 (0.96) CYP2B6HRH4HRH3CYP19A1TBXAS1
Hydrochloric Acid SCHEMBL11047046 0.98 CYP2B6 (0.96) CYP2B6HRH4HRH3CYP19A1TBXAS1
Iodide SCHEMBL16164466 0.98 CYP2B6 (0.96) CYP2B6HRH4HRH3CYP19A1TBXAS1
SCHEMBL11047050 0.98 CYP2B6 (0.96) CYP2B6HRH4HRH3CYP19A1TBXAS1
SCHEMBL11051252 0.94 CYP2B6 (0.89) CYP2B6CYP19A1TBXAS1
Oxalic Acid SCHEMBL11048695 0.90 CYP2B6 (0.81) CYP2B6CYP19A1TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180104220-A1 IMIDAZOLE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2018-04-19 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-20180104220-A1 IMIDAZOLE COMPOUND MAPT, SLC10A2, SLC5A11 CYP2B6 158/4885HRH4 260/4885HRH3 338/4885

“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.