SCHEMBL6590937

SCHEMBL6590937

Fc1ccc(C2CC(Cc3c[nH]cn3)c3ccccc32)cc1F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.39
SLC6A3 Q01959 7/20 0.39
SLC6A4 P31645 6/20 0.39
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
KDM1A O60341 4/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 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
SCHEMBL6590715 0.87 HTR2A (0.37) HTR2AHTR2CHTR2B
SCHEMBL6589282 0.86 HTR2A (0.40) SLC6A2SLC6A3SLC6A4HTR2AHTR2C
SCHEMBL6591377 0.84 KDM1A (0.33) HTR2CHTR2BKDM1A
SCHEMBL6587917 0.84 SIGMAR1 (0.34) HTR2AHTR2CHTR2B
SCHEMBL6590178 0.82 JAK2 (0.33)
SCHEMBL6588473 0.80 GID4 (0.37)
SCHEMBL6594421 0.79 SLC6A2 (0.38) SLC6A2SLC6A3SLC6A4
SCHEMBL6590812 0.79
SCHEMBL6589534 0.75
SCHEMBL6587991 0.74 DRD1 (0.38) HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1261588-B1 IMIDAZOLE COMPOUNDS AS Alpha2-ADRENOCEPTORS ANTAGONISTS ORION CORP (FI) 2004-10-20 EP 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 SLC6A2 30/4885SLC6A3 395/4885SLC6A4 419/4885

“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.