SCHEMBL6590059

SCHEMBL6590059

c1ccc(CC2CC(c3c[nH]cn3)c3ccccc32)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
SLC22A1 O15245 1/20 0.33
PRCP P42785 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR6 P50406 1/20 0.33
GBA1 P04062 1/20 0.32
ROCK2 O75116 1/20 0.32

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
SCHEMBL6594319 0.81 DDB1 (0.34) DDB1CRBNSLC22A1PRCPNPC1
SCHEMBL6587877 0.79 SIGMAR1 (0.38) KMT2A
SCHEMBL6587917 0.76 SIGMAR1 (0.34)
SCHEMBL6594865 0.73 PDGFRA (0.40) KMT2A
SCHEMBL6586476 0.72 HTR2A (0.42)
SCHEMBL6591377 0.71 KDM1A (0.33) ALDH1A1
SCHEMBL6590178 0.69 JAK2 (0.33)
SCHEMBL6590715 0.69 HTR2A (0.37)
SCHEMBL6250927 0.69 ADRA1A (0.54) ALDH1A1KMT2A
SCHEMBL6588473 0.68 GID4 (0.37) KMT2A

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 DDB1 3538/4885CRBN 3963/4885SLC22A1 612/4885

“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.