SCHEMBL6583555

SCHEMBL6583555

c1cc2c(c(NC3=NCCN3)c1)CCN2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 9/20 0.56
ADRA2B P18089 8/20 0.56
ADRA2C P18825 8/20 0.56
ADRA1A P35348 7/20 0.56
ADRA1D P25100 6/20 0.56
ADRA1B P35368 6/20 0.56
HTR7 P34969 2/20 0.51
LMNA P02545 3/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
MEN1 O00255 1/20 0.50
SLC22A1 O15245 1/20 0.50
SLC22A3 O75751 1/20 0.50
HTR1A P08908 1/20 0.50
CYP2C9 P11712 1/20 0.50
HRH2 P25021 1/20 0.50
OPRK1 P41145 1/20 0.50
KMT2A Q03164 1/20 0.50
HIF1A Q16665 1/20 0.50
SLC47A1 Q96FL8 1/20 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
Indanazoline SCHEMBL151815 0.79 LMNA (0.66) ADRA2AADRA2BADRA2CADRA1AADRA1D
Tramazoline SCHEMBL121944 0.79 LMNA (0.69) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL6585119 0.79 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1AADRA1D
Tramazoline SCHEMBL121943 0.78 LMNA (0.68) ADRA2AADRA2BADRA2CADRA1AADRA1D
Tramazoline SCHEMBL29362958 0.78 LMNA (0.68) ADRA2AADRA2BADRA2CADRA1AADRA1D
Indanazoline SCHEMBL1650054 0.78 LMNA (0.65) ADRA2AADRA2BADRA2CADRA1AADRA1D
Indanazoline SCHEMBL3500123 0.78 LMNA (0.65) ADRA2AADRA2BADRA2CADRA1AADRA1D
Tramazoline SCHEMBL8378445 0.77 LMNA (0.67) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL6583667 0.75 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL11098850 0.73 ADRA2A (0.69) ADRA2AADRA2BADRA2CADRA1AADRA1D

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
CN-1092652-C 2-imidazolinylaminoindole compounds useful as alpha-2 adrenoceptor agonists PROCTER & GAMBLE (US) 2002-10-16 CN claimed
US-6162818-A 2-imidazolinylaminoindole compounds useful as alpha-2 adrenoceptor agonists THE PROCTER & GAMBLE COMPANY (US) 2000-12-19 US claimed
CN-1238771-A 2-imidazolinylaminoindole compounds useful as alpha-2 adrenoceptor agonists PROCTER & GAMBLE (US) 1999-12-15 CN claimed
EP-0944621-A1 2-IMIDAZOLINYLAMINOINDOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1999-09-29 EP claimed
WO-1998023610-A1 2-IMIDAZOLINYLAMINOINDOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1998-06-04 WO claimed
EP-0944621-B1 2-IMIDAZOLINYLAMINOINDOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS PROCTER & GAMBLE (US) 2004-09-01 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-6395764-B1 NOSAL DECONGESTION, RESPIRATORY SYSTEM DISORDERS THE PROCTER & GAMBLE COMPANY 2002-05-28 US disclosed
US-20020045565-A1 Method for treating or preventing emesis MERCK FROSST CANADA LTD. (CA) 2002-04-18 US disclosed
US-6162818-A 2-imidazolinylaminoindole compounds useful as alpha-2 adrenoceptor agonists THE PROCTER & GAMBLE COMPANY (US) 2000-12-19 US disclosed
EP-0944621-A1 2-IMIDAZOLINYLAMINOINDOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1999-09-29 EP disclosed
WO-1998023610-A1 2-IMIDAZOLINYLAMINOINDOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1998-06-04 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 ADRA2A 2/4885ADRA2B 4/4885ADRA2C 3/4885

“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.