SCHEMBL3169468

SCHEMBL3169468

c1ccc(CNC2=NCCN2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 2/20 0.60
▸ ADRA2A P08913 4/20 0.51
▸ ADRA2B P18089 4/20 0.51
▸ ADRA2C P18825 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ TAAR1 Q96RJ0 2/20 0.51
▸ MAOA P21397 2/20 0.51
▸ MAOB P27338 2/20 0.51
▸ NISCH Q9Y2I1 2/20 0.51
▸ ADRA1D P25100 2/20 0.51
▸ ADRA1A P35348 2/20 0.51
▸ ADRA1B P35368 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ APOBEC3A P31941 2/20 0.51
▸ APOBEC3G Q9HC16 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ CTDSP1 Q9GZU7 1/20 0.51
▸ CXCR4 P61073 3/20 0.50

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
SCHEMBL10054979 0.91 PTGIR (0.69) PTGIRADRA2AADRA2BADRA2CLMNA
SCHEMBL4032956 0.84 PTGIR (0.62) PTGIRADRA2AADRA2BADRA2CLMNA
SCHEMBL4035161 0.83 PTGIR (0.61) PTGIRADRA2AADRA2BADRA2CLMNA
SCHEMBL17186490 0.83 PTGIR (0.61) PTGIRADRA2AADRA2BADRA2CLMNA
SCHEMBL10800812 0.83 PTGIR (0.83) PTGIRADRA2AADRA2BADRA2CCXCR4
SCHEMBL11132646 0.83 CXCR4 (0.56) PTGIRADRA2AADRA2BADRA2CLMNA
SCHEMBL26703926 0.83 PTGIR (0.61) PTGIRADRA2AADRA2BADRA2CLMNA
Hydrochloric Acid SCHEMBL18605409 0.81 PTGIR (0.59) PTGIRADRA2AADRA2BADRA2CLMNA
SCHEMBL6300545 0.81 WDR5 (0.53) PTGIRADRA2AADRA2BADRA2CLMNA
SCHEMBL13063330 0.81 CYP2D6 (0.58) PTGIRADRA2AADRA2BADRA2CLMNA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652055-B2 2-imidazolines HOFFMAN-LA ROCHE INC. (US) 2010-01-26 — — US claimed
US-20090018180-A1 2-IMIDAZOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-15 — — US claimed
CN-114929690-A Novel heterocyclic derivatives with cardiomyocyte proliferative activity for the treatment of cardiac diseases 同济大学 2022-08-19 — — CN disclosed
US-7741493-B2 4,5-diphenyl-2-amino-4,5-dihydro-imidazole derivatives; antiinflammatory agent, neurodegenerative diseases; inflammatory bowel disease, rheumatoid arthritis and diseases associated with central nervous system, such as Alzheimer's disease AVENTIS PHARMACEUTICALS INC. (US) 2010-06-22 — — US disclosed
EP-1651613-B1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMA INC (US) 2010-05-26 — — EP disclosed
EP-2173720-A2 2-IMIDAZOLINES HAVING A GOOD AFFINITY TO THE TRACE AMINE ASSOCIATED RECEPTORS (TAARS) F. Hoffmann-Roche AG (CH) 2010-04-14 — — EP disclosed
CN-101687812-A The 2-imidazolinium compounds that trace amine associated receptors (TAAR) is had good affinity HOFFMANN LA ROCHE 2010-03-31 — — CN disclosed
US-7652055-B2 2-imidazolines HOFFMAN-LA ROCHE INC. (US) 2010-01-26 — — US disclosed
US-7652055-B2 2-imidazolines HOFFMAN-LA ROCHE INC. (US) 2010-01-26 — — US disclosed
US-7652055-B2 2-imidazolines HOFFMAN-LA ROCHE INC. (US) 2010-01-26 — — US disclosed
US-20090018180-A1 2-IMIDAZOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-15 — — US disclosed
WO-2009003868-A2 2 -IMIDAZOLINES HAVING A GOOD AFFINITY TO THE TRACE AMINE ASSOCIATED RECEPTORS (TAARS) F. HOFFMANN-LA ROCHE AG (CH) 2009-01-08 — — WO disclosed
WO-2009003868-A2 2 -IMIDAZOLINES HAVING A GOOD AFFINITY TO THE TRACE AMINE ASSOCIATED RECEPTORS (TAARS) F. HOFFMANN-LA ROCHE AG (CH) 2009-01-08 — — WO disclosed
US-20080132550-A1 HETEROCYCLIC COMPOUNDS AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMACEUTICALS INC. (US) 2008-06-05 — — US disclosed
US-7326792-B2 Heterocyclic compounds as P2X7 ion channel blockers AVENTIS PHARMACEUTICALS INC. (US) 2008-02-05 — — US disclosed
EP-1651613-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS Aventis Pharmaceuticals, Inc. (US) 2006-05-03 — — EP disclosed
WO-2005014555-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMACEUTICALS INC. (US) 2005-02-17 — — WO disclosed
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers AVENTIS PHARMACEUTICALS INC. (US) 2005-02-03 — — US disclosed
US-3983133-A CNS ANTIDEPRESSANTS JANSSEN PHARMACEUTICA N.V. (BE) 1976-09-28 — — US disclosed
US-3963718-A CENTRAL NERVOUS SYSTEM ANTIDEPRESSANTS JANSSEN PHARMACEUTICA (BE) 1976-06-15 — — 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 (3 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-20090018180-A1 2-IMIDAZOLINES TAAR1, TAAR5, NPY1R PTGIR 286/4885ADRA2A 61/4885ADRA2B 108/4885
US-20080132550-A1 HETEROCYCLIC COMPOUNDS AS P2X7 ION CHANNEL BLOCKERS P2RX3, P2RX2, P2RX5 PTGIR 571/4885ADRA2A 430/4885ADRA2B 316/4885
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers P2RX3, P2RX2, P2RX5 PTGIR 571/4885ADRA2A 430/4885ADRA2B 316/4885

“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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