SCHEMBL2105196

SCHEMBL2105196

c1cc(Cc2c[nH]cn2)c2occc2c1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EED O75530 2/20 0.39
▸ ASIC3 Q9UHC3 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ KCNH2 Q12809 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
SCHEMBL2102631 0.79 CYP3A4 (0.33) CYP3A4
SCHEMBL3757532 0.73 MMP2 (0.41) CYP3A4
SCHEMBL2626838 0.71 ADRA1D (0.60) CYP3A4
SCHEMBL955967 0.71 ADRA2A (0.58) EEDASIC3
SCHEMBL1602646 0.69 EED (0.42) EEDHTR2A
SCHEMBL2103787 0.69 DPP4 (0.43) KCNH2
Detomidine SCHEMBL247340 0.69 ALDH1A1 (0.35) CYP3A4KCNH2
Detomidine SCHEMBL7087060 0.69 ALDH1A1 (0.35) CYP3A4KCNH2
SCHEMBL31284853 0.69 LCLAT1 (0.31) —
SCHEMBL2103781 0.68 TAAR1 (0.41) —

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 EED 2926/4885ASIC3 1891/4885CYP3A4 38/4885

“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.

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