SCHEMBL2102800

SCHEMBL2102800

CCc1cccc(C2CC2)c1Cc1c[nH]cn1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.37
HTR1A P08908 1/20 0.37
PDK2 Q15119 5/20 0.36
PDK4 Q16654 3/20 0.36
NR3C1 P04150 1/20 0.32
ADRA1A P35348 1/20 0.32
ASPH Q12797 1/20 0.31
KDM8 Q8N371 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL2102304 0.84 TAAR1 (0.49) TAAR1HTR1APDK2
SCHEMBL2102247 0.79 TAAR1 (0.41) TAAR1HTR1A
SCHEMBL2100719 0.78 TAAR1 (0.40) TAAR1HTR1A
SCHEMBL2103378 0.78 TAAR1 (0.40) TAAR1HTR1AKDM4E
SCHEMBL2626844 0.75 ADRA1D (0.46) TAAR1HTR1AADRA1AMAPT
Detomidine SCHEMBL4628630 0.75 TAAR1 (0.40) TAAR1HTR1A
SCHEMBL10740522 0.74 TAAR1 (0.41) TAAR1HTR1APDK2
SCHEMBL11047730 0.74 TAAR1 (0.36) TAAR1HTR1APDK2NR3C1KDM4E
SCHEMBL2103783 0.69 TAAR1 (0.46) TAAR1HTR1AADRA1AMEN1MAPT
SCHEMBL3176254 0.69 KDM5B (0.36) TAAR1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101374832-B Use of 4-imidazole derivatives for CNS disorders HOFFMANN LA ROCHE 2013-03-06 CN claimed
EP-1981880-B1 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2010-02-24 EP claimed
CN-101374832-A Use of 4-imidazole derivatives for CNS disorders HOFFMANN LA ROCHE (CH) 2009-02-25 CN 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
CN-101374832-B Use of 4-imidazole derivatives for CNS disorders HOFFMANN LA ROCHE 2013-03-06 CN disclosed
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
CN-101374832-A Use of 4-imidazole derivatives for CNS disorders HOFFMANN LA ROCHE (CH) 2009-02-25 CN 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 TAAR1 79/4885HTR1A 10/4885PDK2 1801/4885

“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.