SCHEMBL2102243

SCHEMBL2102243

CCc1ccc(Oc2ccccc2)c(CC)c1Cc1c[nH]cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.36
ALOX12 P18054 1/20 0.36
SLC6A4 P31645 3/20 0.33
POLB P06746 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
MAPT P10636 2/20 0.33
HTR2A P28223 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
PTPN11 Q06124 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
SLC6A2 P23975 2/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
LTA4H P09960 2/20 0.33
NTRK1 P04629 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
SCHEMBL2103538 0.84 MAPT (0.33) L3MBTL1MAPT
SCHEMBL2103689 0.84 KDM4E (0.30) L3MBTL1KDM4E
SCHEMBL2104925 0.82 LTA4H (0.37) ALOX15ALOX12SLC6A4KDM4EALDH1A1
SCHEMBL4627742 0.80 GABRA1 (0.35) L3MBTL1MAPTKDM4EALDH1A1
SCHEMBL4629061 0.80 PDE10A (0.32) KDM4EHSD17B10
SCHEMBL2102304 0.76 TAAR1 (0.49) KCNH2KDM5B
SCHEMBL2626863 0.76 HRH3 (0.47) LTA4H
SCHEMBL954135 0.75 TAAR1 (0.60) ALOX15ALOX12POLBL3MBTL1MAPT
SCHEMBL2103378 0.73 TAAR1 (0.40) POLBKDM4EKCNH2
SCHEMBL2100697 0.72 DPYD (0.41) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981880-B1 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2010-02-24 EP claimed
EP-1981880-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP claimed
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 claimed
WO-2007085556-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO claimed
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 ALOX15 2148/4885ALOX12 2106/4885SLC6A4 34/4885

“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.