SCHEMBL6585037

SCHEMBL6585037

Cc1cc2[nH]cnc2c(C)c1NC1=NCCN1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 5/20 0.55
▸ HTR1B P28222 4/20 0.55
▸ CFB P00751 5/20 0.53
▸ ADRA2C P18825 7/20 0.47
▸ ADRA1A P35348 5/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ ADRA2A P08913 6/20 0.43
▸ ADRA2B P18089 6/20 0.43
▸ ADRA1D P25100 4/20 0.43
▸ ADRA1B P35368 4/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ NISCH Q9Y2I1 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ BLM P54132 2/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL6584946 0.87 HTR1D (0.52) HTR1DHTR1BCFBADRA2CADRA1A
SCHEMBL7028929 0.80 ADRA2A (0.46) HTR1DHTR1BCFBADRA2CADRA1A
Povafonidine SCHEMBL6581181 0.77 ADRA2A (0.67) HTR1DADRA2CADRA1AADRA2AADRA2B
SCHEMBL6581982 0.77 HTR1D (0.54) HTR1DHTR1BCFBADRA2CADRA1A
Povafonidine SCHEMBL8927783 0.76 ADRA2A (0.66) HTR1DADRA2CADRA1AADRA2AADRA2B
SCHEMBL7086855 0.76 HTR1D (0.48) HTR1DHTR1BCFBADRA2CADRA1A
SCHEMBL7027287 0.75 ADRA2A (0.50) HTR1DHTR1BCFBADRA2CADRA1A
SCHEMBL6579623 0.74 HTR1D (0.51) HTR1DHTR1BCFBADRA2CADRA1A
SCHEMBL8926989 0.74 ADRA2A (0.52) HTR1DHTR1BCFBADRA2CADRA1A
SCHEMBL11187565 0.74 HTR1D (0.76) HTR1DHTR1BCFBADRA2CADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975627-A1 5-(2-IMIDAZOLINYLAMINO)BENZIMIDAZOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 2000-02-02 — — EP claimed
WO-1998046595-A1 5-(2-IMIDAZOLINYLAMINO)BENZIMIDAZOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1998-10-22 — — WO claimed
EP-1037887-B1 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY PROCTER & GAMBLE (US) 2004-07-14 — — EP disclosed
US-6610720-B2 Administering to the patient an alpha-2 adrenoreceptor agonist for the treatment or prevention of emesis MERCK FROSST CANADA & CO. (CA) 2003-08-26 — — US disclosed
US-6486190-B1 5-(2-imidazolinylamino)-benzimidazole derivatives, their preparation and their use as .alpha.-adrenoceptor agonists with improved metabolic stability THE PROCTER & GAMBLE COMPANY 2002-11-26 — — US disclosed
US-20020045565-A1 Method for treating or preventing emesis MERCK FROSST CANADA LTD. (CA) 2002-04-18 — — US disclosed
EP-1037887-A1 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY THE PROCTER & GAMBLE COMPANY (US) 2000-09-27 — — EP disclosed
EP-0975627-A1 5-(2-IMIDAZOLINYLAMINO)BENZIMIDAZOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 2000-02-02 — — EP disclosed
WO-1999026942-A1 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY THE PROCTER & GAMBLE COMPANY (US) 1999-06-03 — — WO disclosed
WO-1998046595-A1 5-(2-IMIDAZOLINYLAMINO)BENZIMIDAZOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1998-10-22 — — 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-20020045565-A1 Method for treating or preventing emesis ADRB2, ADRA2A, ADRA2C HTR1D 150/4885HTR1B 61/4885CFB 2719/4885

“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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