SCHEMBL4933742

SCHEMBL4933742

CCCCCC1CNCCN1N

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
CYP2D6 P10635 4/20 0.38
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 4/20 0.38
SLC6A3 Q01959 4/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
GNAO1 P09471 6/20 0.35
GNAI3 P08754 5/20 0.35
GNAI1 P63096 5/20 0.35
SPHK1 Q9NYA1 2/20 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
SCHEMBL880998 0.87 SLC6A2 (0.39) TAAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL6284637 0.80 TAAR1 (0.43) TAAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL3019820 0.79
SCHEMBL6529491 0.79 TAAR1 (0.48) TAAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL28084161 0.79 TAAR1 (0.39) TAAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL5770282 0.79 TAAR1 (0.42) TAAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL27911335 0.79 TAAR1 (0.54) TAAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL250854 0.77 TAAR1 (0.53) TAAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL4446755 0.77 TAAR1 (0.53) TAAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL15284196 0.77 TAAR1 (0.47) TAAR1CYP2D6SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017011518-A1 PROTEIN ACYL TRANSFERASE INHIBITORS AND METHODS OF TREATMENT UNIVERSITY OF SOUTH FLORIDA (US) 2017-01-19 WO disclosed
EP-1778685-B1 INDOLIZINE CARBOXAMIDES AND THE AZA AND DIAZA DERIVATIVES THEREOF SANOL ARZNEI SCHWARZ GMBH (DE) 2008-03-26 EP disclosed
US-20080051409-A1 Indolizine Carboxamides and Aza and Diaza Derivatives Thereof SCHWARZ PHARMA AG (DE) 2008-02-28 US disclosed
US-20070299091-A1 Azaindole Carboxamides GMEINER PETER 2007-12-27 US disclosed
EP-1778685-A1 INDOLIZINE CARBOXAMIDES AND THE AZA AND DIAZA DERIVATIVES THEREOF SCHWARZ PHARMA AG (DE) 2007-05-02 EP disclosed
EP-1771448-A1 AZAINDOLE CARBOXAMIDES SCHWARZ PHARMA AG (DE) 2007-04-11 EP disclosed
EP-1519726-B1 UTILIZATION OF HETEROARENE CARBOXAMIDE AS DOPAMINE-D3 LIGANDS FOR THE TREATMENT OF CNS DISEASES SANOL ARZNEI SCHWARZ GMBH (DE) 2007-02-21 EP disclosed
EP-1749529-A1 Utilisation of heteroarene carboxamide as dopamine-D3 ligands for the treatment of CNS diseases SCHWARZ PHARMA AG (DE) 2007-02-07 EP disclosed
EP-1733727-A1 Ferrocenecarboxamide derivatives for use as dopamine D3 ligands for the treatment of CNS disorders SCHWARZ PHARMA AG (DE) 2006-12-20 EP disclosed
WO-2006050976-A1 AZAINDOLE CARBOXAMIDES SCHWARZ PHARMA AG (DE) 2006-05-18 WO disclosed
WO-2006015737-A1 INDOLIZINE CARBOXAMIDES AND THE AZA AND DIAZA DERIVATIVES THEREOF SCHWARZ PHARMA AG (DE) 2006-02-16 WO disclosed
US-6982260-B1 Quinazolines and their use for inhibiting cyclin-dependent kinase enzymes WARNER-LAMBERT COMPANY (US) 2006-01-03 US disclosed
EP-1519726-A1 UTILIZATION OF HETEROARENE CARBOXAMIDE AS DOPAMINE-D3 LIGANDS FOR THE TREATMENT OF CNS DISEASES SCHWARZ PHARMA AG (DE) 2005-04-06 EP disclosed
WO-2004004729-A1 UTILIZATION OF HETEROARENE CARBOXAMIDE AS DOPAMINE-D3 LIGANDS FOR THE TREATMENT OF CNS DISEASES SCHWARZ PHARMA AG (DE) 2004-01-15 WO disclosed
EP-1235815-A1 QUINAZOLINES AND THEIR USE FOR INHIBITING CYCLIN-DEPENDENT KINASE ENZYMES WARNER-LAMBERT COMPANY (US) 2002-09-04 EP disclosed
WO-2001038315-A1 QUINAZOLINES AND THEIR USE FOR INHIBITING CYCLIN-DEPENDENT KINASE ENZYMES WARNER-LAMBERT COMPANY (US) 2001-05-31 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 (2 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-20070299091-A1 Azaindole Carboxamides TPH1, TPH2, HTR1A TAAR1 73/4885CYP2D6 360/4885SLC6A2 30/4885
US-20080051409-A1 Indolizine Carboxamides and Aza and Diaza Derivatives Thereof GRIN2A, GRIN2C, GRIN1 TAAR1 176/4885CYP2D6 249/4885SLC6A2 553/4885

“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.