SCHEMBL3198597

SCHEMBL3198597

COc1cccc(N2CCN(CCCCN)CC2)c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.84
DRD2 P14416 5/20 0.70
HTR1A P08908 10/20 0.66
HSD17B10 Q99714 1/20 0.66
HTR7 P34969 3/20 0.60
HTR2A P28223 2/20 0.60
DRD4 P21917 2/20 0.60
ADRA2A P08913 1/20 0.60
ADRA2C P18825 1/20 0.60
HRH2 P25021 1/20 0.60
HTR1B P28222 1/20 0.60
ADRA1A P35348 1/20 0.60
HRH1 P35367 1/20 0.60
ADRA1B P35368 1/20 0.60
HTR2B P41595 1/20 0.60
SIGMAR1 Q99720 1/20 0.60
HTR6 P50406 1/20 0.60
DRD1 P21728 1/20 0.58
DRD3 P35462 1/20 0.58
CYP2D6 P10635 1/20 0.57

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
SCHEMBL30873546 1.00 KCNH2 (0.84) KCNH2DRD2HTR1AHSD17B10HTR7
Hydrochloric Acid SCHEMBL3212440 0.99 KCNH2 (0.82) KCNH2DRD2HTR1AHSD17B10HTR7
SCHEMBL8828388 0.96 KCNH2 (0.81) KCNH2DRD2HTR1AHSD17B10HTR7
SCHEMBL4525293 0.91 KCNH2 (1.00) KCNH2DRD2HTR1AHTR7HTR2A
SCHEMBL1307825 0.90 KCNH2 (0.76) KCNH2DRD2HTR1AHSD17B10SIGMAR1
SCHEMBL3196645 0.87 HSD17B10 (0.71) KCNH2DRD2HTR1AHSD17B10HTR7
SCHEMBL11065914 0.86 KCNH2 (0.63) KCNH2DRD2HSD17B10DRD4CYP2D6
SCHEMBL27895403 0.86 KCNH2 (0.84) KCNH2DRD2HTR1AHTR7HTR2A
Hydrochloric Acid SCHEMBL3194761 0.86 HSD17B10 (0.69) KCNH2DRD2HTR1AHSD17B10HTR7
SCHEMBL4530285 0.85 KCNH2 (0.86) KCNH2DRD2HTR1AHTR7HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104046246-A Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PROD & CHEM 2014-09-17 CN claimed
US-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2010-02-04 US claimed
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 US claimed
EP-2057138-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME Pierre Fabre Medicament (FR) 2009-05-13 EP claimed
WO-2008009741-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2008-01-24 WO claimed
CN-111253325-A Amino quinazoline aryl piperazine compound and pharmaceutical composition and application thereof 广州大学 2020-06-09 CN disclosed
CN-104046246-A Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PROD & CHEM 2014-09-17 CN disclosed
CN-102264733-B novel dopamine D3 receptor ligand, preparation method and medical application thereof INST PHARM & TOXICOLOGY AMMS 2014-07-30 CN disclosed
US-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2010-02-04 US disclosed
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 US disclosed
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 US disclosed
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 US disclosed
EP-2057138-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME Pierre Fabre Medicament (FR) 2009-05-13 EP disclosed
WO-2008009741-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2008-01-24 WO disclosed
CN-101056878-A Azaindole carboxamides SCHVARZ PHARMA AG (DE) 2007-10-17 CN disclosed
EP-1836192-A2 ARYL PIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS Universita' Degli Studi di Siena (IT) 2007-09-26 EP disclosed
CN-101014599-A Indolizine carboxamides and the aza and diaza derivatives thereof SANOL ARZNEI SCHWARZ GMBH (DE) 2007-08-08 CN disclosed
WO-2006072608-A2 ARYL PIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS UNIVERSITÁ DEGLI STUDI DI SIENA (IT) 2006-07-13 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-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME DRD3, CHRNA3, CHRM3 KCNH2 1015/4885DRD2 13/4885HTR1A 66/4885
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility HTR2C, HTR2A, DRD2 KCNH2 769/4885DRD2 3/4885HTR1A 15/4885

“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.