SCHEMBL6056239

SCHEMBL6056239

FC(F)(F)Cn1ncnc1-c1ccccc1NCC1=NCCN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 20/20 1.00
▸ ADRA1D P25100 13/20 0.76
▸ ADRA1B P35368 11/20 0.76
▸ ADRA2A P08913 1/20 0.55
▸ ADRA2B P18089 1/20 0.55
▸ ADRA2C P18825 1/20 0.55
▸ MAOA P21397 1/20 0.55
▸ MAOB P27338 1/20 0.55

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
SCHEMBL6366631 0.86 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6367419 0.84 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6371175 0.83 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6366541 0.82 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6367106 0.81 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6371365 0.79 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2AADRA2B
Fumaric Acid SCHEMBL6371817 0.79 ADRA1A (0.83) ADRA1AADRA1DADRA1BADRA2AADRA2B
Fumaric Acid SCHEMBL6371828 0.79 ADRA1A (0.83) ADRA1AADRA1DADRA1BADRA2AADRA2B
Fumaric Acid SCHEMBL6366668 0.77 ADRA1A (0.84) ADRA1AADRA1DADRA1BADRA2AADRA2B
Fumaric Acid SCHEMBL6366656 0.77 ADRA1A (0.84) ADRA1AADRA1DADRA1BADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050154041-A1 Pharmaceutical composition consisting of a beta-3-adrenoceptor agonist and alpha-agonist BOEHRINGER INGELHEIN INTERNATIONAL GMBH (DE) 2005-07-14 — — US claimed
US-6884801-B1 Imidazoline derivatives as alpha-1A adrenoceptor ligands SMITHKLINE BEECHAM CORPORATION (US) 2005-04-26 — — US claimed
EP-1682110-A1 PHARMACEUTICAL COMPOSITION CONSISTING OF A BETA-3 ADRENOCEPTOR AGONIST AND AN ALPHA AGONIST Boehringer Ingelheim International GmbH (DE) 2006-07-26 — — EP disclosed
US-20050154041-A1 Pharmaceutical composition consisting of a beta-3-adrenoceptor agonist and alpha-agonist BOEHRINGER INGELHEIN INTERNATIONAL GMBH (DE) 2005-07-14 — — US disclosed
WO-2005046664-A1 PHARMACEUTICAL COMPOSITION CONSISTING OF A BETA-3 ADRENOCEPTOR AGONIST AND AN ALPHA AGONIST BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-26 — — WO disclosed
US-6884801-B1 Imidazoline derivatives as alpha-1A adrenoceptor ligands SMITHKLINE BEECHAM CORPORATION (US) 2005-04-26 — — US disclosed
EP-1175406-A1 IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2002-01-30 — — EP disclosed
WO-2000066563-A1 IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2000-11-09 — — 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-20050154041-A1 Pharmaceutical composition consisting of a beta-3-adrenoceptor agonist and alpha-agonist ADRB3, ADRB2, ADRB1 ADRA1A 6/4885ADRA1D 9/4885ADRA1B 5/4885

“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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