SCHEMBL6583559

SCHEMBL6583559

c1cc2c(c(NC3NCCN3)c1)CCN2

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
P2RX7 Q99572 2/20 0.34
PARP1 P09874 3/20 0.33
PARP10 Q53GL7 3/20 0.33
PARP11 Q9NR21 3/20 0.33

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
SCHEMBL20462066 0.75 NOTUM (0.40) NOTUMP2RX7PARP1PARP10PARP11
SCHEMBL21605136 0.75 NOTUM (0.40) NOTUMP2RX7PARP1PARP10PARP11
Hydrochloric Acid SCHEMBL21598427 0.74 NOTUM (0.39) NOTUMP2RX7PARP1PARP10PARP11
SCHEMBL783528 0.72 FADS1 (0.46) P2RX7
SCHEMBL783529 0.72 FADS1 (0.46) P2RX7
SCHEMBL28227757 0.71 P2RX7 (0.37) NOTUMP2RX7PARP1PARP10PARP11
SCHEMBL6583670 0.71 PARP1 (0.34) PARP1PARP10PARP11
SCHEMBL27436663 0.69 ADRA1A (0.45)
SCHEMBL257377 0.69 GAA (0.45) NOTUMP2RX7PARP1
SCHEMBL27453211 0.69 NOTUM (0.39) NOTUMP2RX7

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 NOTUM 2308/4885P2RX7 902/4885PARP1 3971/4885

“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.