SCHEMBL2102304

SCHEMBL2102304

CCc1cccc(CC)c1Cc1c[nH]cn1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.49
HTR1A P08908 1/20 0.49
KCNH2 Q12809 1/20 0.36
SCN5A Q14524 1/20 0.36
GABRA1 P14867 4/20 0.35
GABRB2 P47870 4/20 0.35
PDK2 Q15119 1/20 0.33
KDM5B Q9UGL1 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
SCHEMBL2102247 0.91 TAAR1 (0.41) TAAR1HTR1AKCNH2SCN5AGABRA1
SCHEMBL2100719 0.89 TAAR1 (0.40) TAAR1HTR1AKCNH2SCN5AGABRA1
SCHEMBL2103378 0.89 TAAR1 (0.40) TAAR1HTR1AKCNH2SCN5A
Detomidine SCHEMBL4628630 0.89 TAAR1 (0.40) TAAR1HTR1AKCNH2SCN5A
SCHEMBL10740522 0.85 TAAR1 (0.41) TAAR1HTR1AKCNH2SCN5AGABRA1
SCHEMBL2102800 0.84 TAAR1 (0.37) TAAR1HTR1APDK2
SCHEMBL11047730 0.84 TAAR1 (0.36) TAAR1HTR1AKCNH2SCN5AGABRA1
SCHEMBL3176254 0.82 KDM5B (0.36) TAAR1HTR1AKDM5B
SCHEMBL2103783 0.79 TAAR1 (0.46) TAAR1HTR1A
SCHEMBL4626492 0.78 LMNA (0.39) SCN5A

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 17 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
US-4443466-A DIURETICS, SEDATIVES, ANALGESICS Farmos-Yhtyma OY (Farmos Group Ltd.) (FI) 1984-04-17 US 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
EP-0138358-A1 The preparation and use of 2-[2-(1,4-benzodioxanyl)]-2-imidazoline in therapy Farmos-Yhtyma Oy (FI) 1985-04-24 EP disclosed
EP-0024829-B1 4-BENZYL- AND 4-BENZOYLIMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Farmos-Yhtyma Oy (FI) 1984-04-25 EP disclosed
US-4443466-A DIURETICS, SEDATIVES, ANALGESICS Farmos-Yhtyma OY (Farmos Group Ltd.) (FI) 1984-04-17 US 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 10/4885KCNH2 1162/4885

“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.