SCHEMBL3883013

SCHEMBL3883013

CN(C)CCOCCn1cc2c(n1)-c1ccccc1Sc1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.40
DRD2 P14416 6/20 0.40
CYP1A2 P05177 6/20 0.40
CYP2D6 P10635 6/20 0.40
CHRM2 P08172 5/20 0.40
ADRA2A P08913 5/20 0.40
CHRM1 P11229 5/20 0.40
DRD1 P21728 5/20 0.40
ADRA1A P35348 5/20 0.40
HRH1 P35367 5/20 0.40
OPRM1 P35372 5/20 0.40
DRD3 P35462 5/20 0.40
KCNH2 Q12809 5/20 0.40
CYP2C19 P33261 5/20 0.40
KDM1A O60341 4/20 0.40
CHRM4 P08173 4/20 0.40
ADRA2B P18089 4/20 0.40
ADRA2C P18825 4/20 0.40
CHRM3 P20309 4/20 0.40
DRD4 P21917 4/20 0.40

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
SCHEMBL3882159 0.94 CYP2D6 (0.42) HTR1ADRD2CYP1A2CYP2D6CHRM2
SCHEMBL3888873 0.83 CHRM2 (0.35) HTR1ADRD2CYP2D6CHRM2ADRA2A
SCHEMBL4688770 0.82 PIM1 (0.38) HTR1ADRD2CHRM2ADRA2ACHRM1
SCHEMBL4692952 0.75 KDM1A (0.38) HTR1ADRD2CYP1A2CYP2D6CHRM2
SCHEMBL3883589 0.75 KDM1A (0.38) HTR1ADRD2CYP1A2CYP2D6CHRM2
SCHEMBL3885071 0.74 KMT2A (0.44) HTR1ADRD2CYP1A2CYP2D6CHRM2
SCHEMBL4503988 0.72 NPSR1 (0.33) TP53LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL4492596 0.72 PTGS2 (0.44) ADRA1DHTR2ASLC6A4HRH2SIGMAR1
SCHEMBL3882146 0.71 CYP2D6 (0.40) HTR1ADRD2CYP1A2CYP2D6CHRM2
SCHEMBL4694468 0.71 CYP2D6 (0.40) HTR1ADRD2CYP1A2CYP2D6CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550498-B2 1,2-Diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2009-06-23 US claimed
EP-1686989-B1 USE OF 1,2-DIAZA-DIBENZO[E,H]AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GLAXOSMITHKLINE ZAGREB (HR) 2009-01-14 EP claimed
EP-1587807-B1 1,2-DIAZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF GLAXOSMITHKLINE ZAGREB (HR) 2008-06-18 EP claimed
US-20070173492-A1 1,2-Diaza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2007-07-26 US claimed
EP-1686989-A1 USE OF 1,2-DIAZA-DIBENZO[E,H]AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS Pliva - Istrazivacki Institut d.o.o. (HR) 2006-08-09 EP claimed
EP-1587807-A3 1,2-DIAZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF Pliva-Istrazivacki Institut D.D.O. (HR) 2005-11-16 EP claimed
EP-1587807-A2 1,2-DIAZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF Pliva-Istrazivacki Institut D.D.O. (HR) 2005-10-26 EP claimed
US-20050209296-A1 1,2-Diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-09-22 US claimed
WO-2005049015-A1 USE OF 1,2-DIAZA-DIBENZO[e,h]AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS PLIVA - ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-06-02 WO claimed
WO-2003099822-A2 1,2-DIAZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA - ISTRAZIVACKI INSTITUT D.O.O. (HR) 2003-12-04 WO claimed
US-7550498-B2 1,2-Diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2009-06-23 US disclosed
EP-1686989-B1 USE OF 1,2-DIAZA-DIBENZO[E,H]AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GLAXOSMITHKLINE ZAGREB (HR) 2009-01-14 EP disclosed
EP-1587807-B1 1,2-DIAZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF GLAXOSMITHKLINE ZAGREB (HR) 2008-06-18 EP disclosed
US-20070173492-A1 1,2-Diaza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2007-07-26 US disclosed
EP-1686989-A1 USE OF 1,2-DIAZA-DIBENZO[E,H]AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS Pliva - Istrazivacki Institut d.o.o. (HR) 2006-08-09 EP disclosed
US-20050209296-A1 1,2-Diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-09-22 US disclosed
WO-2005049015-A1 USE OF 1,2-DIAZA-DIBENZO[e,h]AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS PLIVA - ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-06-02 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-20050209296-A1 1,2-Diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B HTR1A 1614/4885DRD2 931/4885CYP1A2 443/4885
US-20070173492-A1 1,2-Diaza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders DBH, DDT, BCHE HTR1A 81/4885DRD2 52/4885CYP1A2 366/4885

“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.