SCHEMBL6587877

SCHEMBL6587877

c1ccc(C2CC(c3c[nH]cn3)c3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.38
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36

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
SCHEMBL6586476 0.89 HTR2A (0.42) HTR2AHTR2CHTR2BHRH3
SCHEMBL6594865 0.87 PDGFRA (0.40) SIGMAR1MEN1CYP3A4CYP2D6KMT2A
SCHEMBL6590059 0.79 DDB1 (0.33) KMT2A
SCHEMBL6587917 0.78 SIGMAR1 (0.34) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL1388099 0.76 SIGMAR1 (0.55) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL6250927 0.73 ADRA1A (0.54) SIGMAR1MEN1CYP2D6KMT2A
SCHEMBL6590715 0.71 HTR2A (0.37) HTR2AHTR2CHTR2BHRH3
SCHEMBL769063 0.70 ADRA1A (0.55) MEN1CYP2D6KMT2A
SCHEMBL6589223 0.69 PDGFRA (0.35) MEN1CYP3A4CYP2D6KMT2A
SCHEMBL6589282 0.69 HTR2A (0.40) HTR2AHTR2CHTR2BHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1187336-C New imidazole derivatives ORION CORP (FI) 2005-02-02 CN disclosed
EP-1261588-B1 IMIDAZOLE COMPOUNDS AS Alpha2-ADRENOCEPTORS ANTAGONISTS ORION CORP (FI) 2004-10-20 EP disclosed
CN-1395567-A New imidazole derivatives ORION CORP (FI) 2003-02-05 CN disclosed
WO-2001051472-A9 NEW IMIDAZOLE DERIVATIVES ORION CORP (FI) 2003-01-23 WO disclosed
EP-1261588-A1 NEW IMIDAZOLE DERIVATIVES ORION CORPORATION (FI) 2002-12-04 EP disclosed
US-6388090-B2 IMIDAZOLE DERIVATIVES CONTAINING BICYCLIC AROMATIC OR AN HETEROCYCLIC RING FUSED WITH BENZENE EXHIBIT AFFINITY FOR ALPHA2 ADRENOCEPTORS SO TREATS THE DISEASE AFFECTED BY ALPHA2 ADRENOCEPTORS, E.G. NUROLOGICAL, PSYCHIATRIC OR COGNITION ORION CORPORATION (FI) 2002-05-14 US disclosed
US-20010056109-A1 Imidazole derivatives ORION CORPORATION (FI) 2001-12-27 US disclosed
WO-2001051472-A1 NEW IMIDAZOLE DERIVATIVES ORION CORPORATION (FI) 2001-07-19 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-20010056109-A1 Imidazole derivatives ADRB2, ADRB1, ADRA1D SIGMAR1 82/4885MEN1 1609/4885CYP3A4 197/4885

“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.