SCHEMBL2104378

SCHEMBL2104378

BrCc1cc(Br)cc2ccoc12

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ ESR1 P03372 1/20 0.30
▸ ESR2 Q92731 1/20 0.30
▸ MAOB P27338 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
SCHEMBL8800540 0.92 MAOB (0.33) ESR1ESR2MAOB
SCHEMBL7482318 0.83 MAOB (0.36) HTR2AHTR2CESR2MAOB
SCHEMBL31305973 0.83 MAOB (0.36) HTR2AHTR2CESR2MAOB
SCHEMBL16426152 0.75 GPR35 (0.37) MAOB
SCHEMBL3372189 0.74 MAOB (0.46) MAOB
SCHEMBL1057605 0.73 HTT (0.38) —
SCHEMBL1064292 0.72 MAOA (0.37) MAOB
SCHEMBL14741951 0.72 NMT1 (0.32) MAOB
SCHEMBL2296131 0.72 TRPA1 (0.34) MAOB
SCHEMBL957265 0.72 EED (0.45) HTR2AHTR2C

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 12 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
EP-0783499-B1 BENZOFURAN DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LTD (GB) 2002-10-23 — — EP disclosed
US-5985896-A TREATMENT OR PREVENTION OF PAIN, INFLAMMATION, MIGRAINE, EMESIS AND POSTHERPETIC NEURALGIA MERCK SHARP & DOHME LTD. (GB) 1999-11-16 — — US disclosed
US-5935972-A Benzofuran derivatives as tachykinin antagonists GLAXO GROUP LIMITED (GB) 1999-08-10 — — US disclosed
EP-0837858-A1 PIPERIDINE AND MORPHOLINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 1998-04-29 — — EP disclosed
EP-0783499-A1 BENZOFURAN DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 1997-07-16 — — EP disclosed
WO-1997001554-A1 PIPERIDINE AND MORPHOLINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 1997-01-16 — — WO disclosed
WO-1995006645-A1 BENZOFURAN DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 1995-03-09 — — 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 HTR2A 30/4885HTR2C 16/4885ESR1 973/4885

“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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