SCHEMBL3260063

SCHEMBL3260063

CCCCCNN1CCNCC1

nearest known ligand 0.92

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 11/20 0.92
GNAI3 P08754 10/20 0.92
GNAI1 P63096 10/20 0.92
HRH4 Q9H3N8 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
EPHX1 P07099 2/20 0.37
SIGMAR1 Q99720 2/20 0.33
PRCP P42785 1/20 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
SCHEMBL27389928 0.98 GNAO1 (0.96) GNAO1GNAI3GNAI1HRH4ALDH1A1
Hydrochloric Acid SCHEMBL5370724 0.96 GNAO1 (1.00) GNAO1GNAI3GNAI1HRH4ALDH1A1
Bromide SCHEMBL27708672 0.96 GNAO1 (0.93) GNAO1GNAI3GNAI1HRH4ALDH1A1
SCHEMBL4974361 0.94 GNAO1 (0.81) GNAO1GNAI3GNAI1HRH4TSHR
SCHEMBL9214500 0.88 GNAI3 (0.78) GNAO1GNAI3GNAI1
SCHEMBL9214517 0.88 GNAI3 (0.78) GNAO1GNAI3GNAI1
SCHEMBL730717 0.85 GNAI3 (0.68) GNAO1GNAI3GNAI1HRH4SIGMAR1
SCHEMBL8665131 0.84 GNAI3 (0.67) GNAO1GNAI3GNAI1ALDH1A1TSHR
Bromide SCHEMBL27689010 0.83 GNAI3 (0.66) GNAO1GNAI3GNAI1HRH4SIGMAR1
SCHEMBL28632179 0.82 GNAI3 (0.70) GNAO1GNAI3GNAI1ALDH1A1TSHR

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7651979-B2 SUCH AS AMMINE (2-AMINO-3-PICOLINE) DICHLOROPLATINUM(II); EFFICIENCY AND SELECTIVITY FOR DESTROYING TRANSFORMED CELLS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-01-26 US claimed
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
EP-0723542-A4 POLYMERIZABLE COMPOUNDS HENKEL CORP (US) 1996-10-23 EP disclosed
US-5565567-A Polymerizable N,N'-substituted piperazine acrylamide compounds HENKEL CORPORATION. (US) 1996-10-15 US disclosed
US-5565567-A Polymerizable N,N'-substituted piperazine acrylamide compounds HENKEL CORPORATION. (US) 1996-10-15 US disclosed
EP-0723542-A1 POLYMERIZABLE COMPOUNDS HENKEL CORPORATION (US) 1996-07-31 EP disclosed
EP-0723542-A1 POLYMERIZABLE COMPOUNDS HENKEL CORPORATION (US) 1996-07-31 EP disclosed
CN-1126474-A Polymerizable compounds HENKEL CORP (US) 1996-07-10 CN disclosed
WO-1994029296-A1 POLYMERIZABLE COMPOUNDS HENKEL CORPORATION (US) 1994-12-22 WO disclosed
WO-1994029296-A1 POLYMERIZABLE COMPOUNDS HENKEL CORPORATION (US) 1994-12-22 WO disclosed
US-5149815-A Anticholirergic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1992-09-22 US disclosed
US-5093333-A N-substituted-2-aminoquinolines useful for treating hypofunction of the cholinergic system AMERICAN HOME PRODUCTS CORPORATION (US) 1992-03-03 US 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 GNAO1 153/4885GNAI3 96/4885GNAI1 66/4885
US-20080051409-A1 Indolizine Carboxamides and Aza and Diaza Derivatives Thereof GRIN2A, GRIN2C, GRIN1 GNAO1 376/4885GNAI3 450/4885GNAI1 359/4885

“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.