SCHEMBL6583667

SCHEMBL6583667

Cc1ccc(NC2=NCCN2)c2c1NCC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 15/20 0.57
ADRA2B P18089 14/20 0.57
ADRA2C P18825 14/20 0.57
ADRA1A P35348 11/20 0.57
ADRA1D P25100 11/20 0.57
ADRA1B P35368 10/20 0.57
HTR1D P28221 3/20 0.50
HTR7 P34969 1/20 0.45
LMNA P02545 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 1/20 0.45
HTR1B P28222 2/20 0.44
KDM4E B2RXH2 1/20 0.43
NR1I2 O75469 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTR1A P08908 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL7206662 0.77 ADRA2A (0.68) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL6583555 0.75 ADRA2A (0.56) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL29426313 0.72 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL8020019 0.72 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL6054577 0.71 ADRA2A (0.56) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL11008145 0.71 ADRA2C (0.63) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL5903662 0.71 ADRA2A (0.63) ADRA2AADRA2BADRA2CADRA1AADRA1D
Flutonidine SCHEMBL352837 0.71 ADRA2A (0.63) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL11757404 0.71 ADRA2A (0.63) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL29349477 0.71 ADRA2A (0.63) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6162818-A 2-imidazolinylaminoindole compounds useful as alpha-2 adrenoceptor agonists THE PROCTER & GAMBLE COMPANY (US) 2000-12-19 US 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.