SCHEMBL3882334

SCHEMBL3882334

CN(C)CCCOCc1n[nH]c2c1-c1ccccc1Sc1ccccc1-2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.35
CYP2D6 P10635 4/20 0.35
CHRM2 P08172 3/20 0.35
HTR1A P08908 3/20 0.35
ADRA2A P08913 3/20 0.35
CHRM1 P11229 3/20 0.35
DRD2 P14416 3/20 0.35
DRD1 P21728 3/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
CYP2C19 P33261 3/20 0.35
ADRA1A P35348 3/20 0.35
HRH1 P35367 3/20 0.35
OPRM1 P35372 3/20 0.35
DRD3 P35462 3/20 0.35
KCNH2 Q12809 3/20 0.35
SLC22A1 O15245 2/20 0.35
TP53 P04637 2/20 0.35
CHRM4 P08173 2/20 0.35
ADRA2B P18089 2/20 0.35

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
SCHEMBL3884173 0.93 CHRM2 (0.35) CYP1A2CYP2D6CHRM2HTR1AADRA2A
SCHEMBL5475947 0.86 MEN1 (0.33) CYP1A2CYP2D6CHRM2HTR1AADRA2A
SCHEMBL3883799 0.82 CACNA1B (0.34) CYP1A2CYP2D6MAOAACHETOP2A
SCHEMBL3881628 0.81 ILK (0.36) CYP1A2CYP2D6CHRM2HTR1AADRA2A
SCHEMBL3882099 0.75 MAPK1 (0.36) CYP1A2CYP2D6CHRM2HTR1AADRA2A
SCHEMBL4693296 0.75 CYP1A2 (0.35) CYP1A2CYP2D6CHRM2HTR1AADRA2A
SCHEMBL4706824 0.75 CXCR1 (0.35) CYP1A2CYP2D6CHRM2HTR1AADRA2A
SCHEMBL3886773 0.74 ADRB2 (0.34) CYP1A2CYP2D6CHRM2ADRA2ACHRM1
SCHEMBL5228547 0.74 KMT2A (0.40) CYP1A2CYP2D6CHRM2HTR1AADRA2A
SCHEMBL4851300 0.74 HRH1 (0.38) CYP1A2CYP2D6CHRM2HTR1AADRA2A

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 14 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
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
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
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
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 disclosed
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 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
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 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 CYP1A2 443/4885CYP2D6 308/4885CHRM2 3168/4885
US-20070173492-A1 1,2-Diaza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders DBH, DDT, BCHE CYP1A2 366/4885CYP2D6 529/4885CHRM2 86/4885

“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.