SCHEMBL2104753

SCHEMBL2104753

Fc1cccc(CC(c2cccc(F)c2)c2c[nH]cn2)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.41
SLC1A1 P43005 2/20 0.38
CNR2 P34972 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
PDE4A P27815 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
IDO1 P14902 1/20 0.33
AGXT P21549 1/20 0.33

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
SCHEMBL2102395 0.83 CYP19A1 (0.43) CYP19A1PDE4AIDO1
SCHEMBL2105128 0.81
SCHEMBL1484177 0.79 SLC6A2 (0.49) TAAR1KDM4E
SCHEMBL13770256 0.78 CYP19A1 (0.41) CYP19A1TAAR1PPARGPPARAKDM4E
SCHEMBL8031476 0.77 IDO1 (0.40) CYP19A1CNR2IDO1
SCHEMBL2104696 0.76 CYP19A1 (0.37) CYP19A1IDO1
SCHEMBL2626808 0.73 CYP19A1 (0.56) CYP19A1TAAR1IDO1
SCHEMBL9641594 0.72 CYP19A1 (0.56) CYP19A1IDO1
SCHEMBL1482779 0.71 SLC6A4 (0.60) PDE4AKDM4E
SCHEMBL13089060 0.71 CYP19A1 (0.42) CYP19A1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158668-B2 Methods for treating CNS disorders with 4-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-04-17 US disclosed
EP-1981880-B1 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2010-02-24 EP disclosed
EP-1981880-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP disclosed
US-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
WO-2007085556-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 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-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives CRY1, GPR119, MTNR1A CYP19A1 192/4885SLC1A1 296/4885CNR2 176/4885

“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.