SCHEMBL4243350

SCHEMBL4243350

c1cc2c(c(N3CCNCC3)c1)OCCCO2

nearest known ligand 0.88

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.88
DRD2 P14416 1/20 0.51
DRD1 P21728 1/20 0.51
HTR2A P28223 1/20 0.51
DRD3 P35462 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
CYP3A4 P08684 1/20 0.51
HTR1A P08908 1/20 0.51
ALOX12 P18054 1/20 0.51
MAPK1 P28482 1/20 0.51
PMP22 Q01453 1/20 0.51
HTR6 P50406 1/20 0.50

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 SCHEMBL5253570 0.98 ADRB1 (0.85) ADRB1DRD2DRD1HTR2ADRD3
Hydrochloric Acid SCHEMBL5246531 0.98 ADRB1 (0.85) ADRB1DRD2DRD1HTR2ADRD3
Eltoprazine SCHEMBL177715 0.94 ADRB1 (1.00) ADRB1DRD2DRD1HTR2ADRD3
Eltoprazine SCHEMBL679616 0.92 ADRB1 (0.97) ADRB1DRD2DRD1HTR2ADRD3
Eltoprazine SCHEMBL9466563 0.92 ADRB1 (0.97) ADRB1DRD2DRD1HTR2ADRD3
Eltoprazine SCHEMBL29438749 0.92 ADRB1 (0.97) ADRB1DRD2DRD1HTR2ADRD3
Eltoprazine SCHEMBL31235563 0.92 ADRB1 (0.97) ADRB1DRD2DRD1HTR2ADRD3
Eltoprazine SCHEMBL1651102 0.91 ADRB1 (0.94) ADRB1DRD2DRD1HTR2ADRD3
Eltoprazine SCHEMBL27615104 0.84 ADRB1 (0.81) ADRB1DRD2DRD1HTR2ADRD3
SCHEMBL6266386 0.84 ADRB1 (0.77) ADRB1DRD2DRD1HTR2ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
US-20090036455-A1 ARYLPIPERAZINE DERIVATIVE AND USE THEREOF AS 5-HT1A RECEPTOR LIGANDS CEPA SCHWARZ PHARMA, S.L. (ES) 2009-02-05 US disclosed
US-20080214542-A1 Arylpiperazine Derivatives and their Use as Selective Dopamine D3 Receptor Ligands BIOPROJET (FR) 2008-09-04 US disclosed
EP-1828125-B1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANGS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET SOC CIV (FR) 2008-04-09 EP disclosed
US-7160888-B2 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER LAMBERT COMPANY LLC (US) 2007-01-09 US disclosed
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
EP-1674103-A1 Arylpiperazine derivatives and use thereof as 5-HT1A receptor ligands Cepa Schwarz Pharma s.l. (ES) 2006-06-28 EP disclosed
EP-1660497-A1 [ 1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2006-05-31 EP disclosed
WO-2005019215-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2005-03-03 WO disclosed
US-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER-LAMBERT COMPANY LLC 2005-02-24 US disclosed
CN-1564820-A Heterocyclic compounds for use in the treatment of disorders of the urinary tract RECORDATI CHEM PHARM (CH) 2005-01-12 CN disclosed
EP-1337528-B1 BENZOTHIOPHENE DERIVATIVE COMPOUNDS, PROCESS OF PREPARATION AND USE THEREOF VITA LAB (ES) 2004-08-04 EP disclosed
US-20040034219-A1 Benzothiophene derivative compounds process of preparation and use thereof LABORATORIOS VITA, S.A. (ES) 2004-02-19 US disclosed
US-20030181446-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-09-25 US disclosed
US-20030162777-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-08-28 US disclosed
US-4833142-A Blood-pressure lowering 4-bicyclic-1-piperazinyl-alkyl amides DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1989-05-23 US disclosed
EP-0138280-B1 BLOOD-PRESSURE LOWERING PIPERAZINE DERIVATIVES DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1988-06-08 EP disclosed
EP-0138280-A2 Blood-pressure lowering piperazine derivatives DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1985-04-24 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 (9 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-20030162777-A1 Novel N-acylated heterocycles HTR1A, HTR1D, HTR1E ADRB1 28/4885DRD2 163/4885DRD1 133/4885
US-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia DRD1, DRD2, DRD3 ADRB1 371/4885DRD2 2/4885DRD1 1/4885
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR6, GAP43, HTR5A ADRB1 456/4885DRD2 242/4885DRD1 583/4885
US-20090036455-A1 ARYLPIPERAZINE DERIVATIVE AND USE THEREOF AS 5-HT1A RECEPTOR LIGANDS HTR1A, HTR5A, HTR2C ADRB1 61/4885DRD2 214/4885DRD1 293/4885
US-20080214542-A1 Arylpiperazine Derivatives and their Use as Selective Dopamine D3 Receptor Ligands SLC6A3, ADRB3, PRLHR ADRB1 29/4885DRD2 8/4885DRD1 49/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 ADRB1 371/4885DRD2 2/4885DRD1 1/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 ADRB1 371/4885DRD2 2/4885DRD1 1/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C ADRB1 28/4885DRD2 85/4885DRD1 54/4885
US-20040034219-A1 Benzothiophene derivative compounds process of preparation and use thereof TPH1, HTR1A, HTR5A ADRB1 82/4885DRD2 123/4885DRD1 91/4885

“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.