SCHEMBL3674703

SCHEMBL3674703

NCCCCN1CCN(c2ccccn2)CC1

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.72
POLB P06746 1/20 0.68
DRD3 P35462 6/20 0.67
HTR1A P08908 6/20 0.67
DRD2 P14416 6/20 0.67
HTR2A P28223 6/20 0.67
HTR7 P34969 6/20 0.67
DRD4 P21917 3/20 0.67
DRD1 P21728 4/20 0.64
ADRA2C P18825 3/20 0.64
DRD5 P21918 3/20 0.64
HRH1 P35367 3/20 0.64
HRH3 Q9Y5N1 1/20 0.58
HTR2C P28335 1/20 0.58
HTR6 P50406 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
Hydrochloric Acid SCHEMBL3812906 0.98 KCNH2 (0.70) KCNH2POLBDRD3HTR1ADRD2
SCHEMBL6989330 0.95 KCNH2 (0.69) KCNH2POLBDRD3HTR1ADRD2
SCHEMBL4519313 0.91 KCNH2 (0.85) KCNH2POLBDRD3HTR1ADRD2
SCHEMBL26108725 0.91 KCNH2 (0.85) KCNH2POLBDRD3HTR1ADRD2
SCHEMBL26107525 0.91 KCNH2 (0.85) KCNH2POLBDRD3HTR1ADRD2
Hydrochloric Acid SCHEMBL26108256 0.89 KCNH2 (0.83) KCNH2POLBDRD3HTR1ADRD2
SCHEMBL1307947 0.89 KCNH2 (0.64) KCNH2POLBDRD3HTR1ADRD2
Hydrochloric Acid SCHEMBL2516709 0.88 KCNH2 (0.62) KCNH2POLBDRD3HTR1ADRD2
SCHEMBL13711971 0.85 KCNH2 (0.71) KCNH2POLBDRD3HTR1ADRD2
SCHEMBL3683389 0.84 KCNH2 (0.71) KCNH2POLBDRD3HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059019-A1 NOVEL ARYL PIPERAZINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE AND SEROTONIN RECEPTORS NEUROSEARCH A/S (DK) 2011-03-10 US claimed
EP-2238125-A1 NOVEL ARYL PIPERAZINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE AND SEROTONIN RECEPTORS NeuroSearch A/S (DK) 2010-10-13 EP claimed
WO-2009095438-A1 NOVEL ARYL PIPERAZINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE AND SEROTONIN RECEPTORS NEUROSEARCH A/S (DK) 2009-08-06 WO claimed
US-20110059019-A1 NOVEL ARYL PIPERAZINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE AND SEROTONIN RECEPTORS NEUROSEARCH A/S (DK) 2011-03-10 US disclosed
EP-2238125-A1 NOVEL ARYL PIPERAZINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE AND SEROTONIN RECEPTORS NeuroSearch A/S (DK) 2010-10-13 EP disclosed
WO-2009095438-A1 NOVEL ARYL PIPERAZINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE AND SEROTONIN RECEPTORS NEUROSEARCH A/S (DK) 2009-08-06 WO disclosed
US-7491727-B2 Good selectivity, high affinity, metabolically stable 5-HT receptor modulators with good bioavailability, CNS penetration, and good pharmacokinetic; antiserotonine agents; central nervous system disorders; anxiolytic agents; attention deficit disorders; strokes; headaches EPIX DELAWARE, INC. (US) 2009-02-17 US disclosed
US-7491727-B2 Good selectivity, high affinity, metabolically stable 5-HT receptor modulators with good bioavailability, CNS penetration, and good pharmacokinetic; antiserotonine agents; central nervous system disorders; anxiolytic agents; attention deficit disorders; strokes; headaches EPIX DELAWARE, INC. (US) 2009-02-17 US disclosed
US-7488731-B2 Arylpiperazinyl compounds EPIX DELAWARE, INC. (US) 2009-02-10 US disclosed
US-7488731-B2 Arylpiperazinyl compounds EPIX DELAWARE, INC. (US) 2009-02-10 US disclosed
US-20080027066-A1 Arylpiperazinyl Compounds EPIX DELAWARE, INC. 2008-01-31 US disclosed
US-20080027066-A1 Arylpiperazinyl Compounds EPIX DELAWARE, INC. 2008-01-31 US disclosed
US-20070004742-A1 Arylpiperazinyl compounds EPIX DELAWARE, INC. 2007-01-04 US disclosed
US-20070004742-A1 Arylpiperazinyl compounds EPIX DELAWARE, INC. 2007-01-04 US disclosed
EP-0290915-B1 FLAVONE-3-CARBOXYLIC-ACID COMPOUNDS, AND PROCESS, INTERMEDIATES FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS Kali-Chemie Pharma GmbH (DE) 1993-07-14 EP disclosed
US-5053508-A Anxiolytic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1991-10-01 US disclosed
US-5013852-A Antiinflammatory KALI-CHEMIE PHARMA GMBH (DE) 1991-05-07 US disclosed
US-4886806-A ANTIINFLAMMATORY AGENTS KALI-CHEMIE PHARMA GMBH (DE) 1989-12-12 US disclosed
EP-0290915-A2 Flavone-3-carboxylic-acid compounds, and process, intermediates for their preparation and medicines containing these compounds Kali-Chemie Pharma GmbH (DE) 1988-11-17 EP 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 (3 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-20080027066-A1 Arylpiperazinyl Compounds HTR5A, HTR1A, HTR2A KCNH2 1225/4885POLB 4265/4885DRD3 387/4885
US-20110059019-A1 NOVEL ARYL PIPERAZINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE AND SEROTONIN RECEPTORS HTR3A, HTR2A, HTR5A KCNH2 828/4885POLB 4636/4885DRD3 14/4885
US-20070004742-A1 Arylpiperazinyl compounds HTR5A, HTR1A, HTR2A KCNH2 1225/4885POLB 4265/4885DRD3 387/4885

“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.