SCHEMBL4693268

SCHEMBL4693268

CC(OCCN(C)C)c1nc2c([nH]1)-c1ccccc1Oc1ccccc1-2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.35
CHRM2 P08172 5/20 0.35
SLC6A2 P23975 5/20 0.35
SLC6A3 Q01959 5/20 0.35
ADRA2A P08913 4/20 0.35
CHRM1 P11229 4/20 0.35
SLC6A4 P31645 4/20 0.35
CYP2D6 P10635 4/20 0.35
ADRA2B P18089 4/20 0.35
HRH1 P35367 4/20 0.35
OPRM1 P35372 3/20 0.35
DRD3 P35462 3/20 0.35
CHRM4 P08173 3/20 0.35
CHRM5 P08912 3/20 0.35
CHRM3 P20309 3/20 0.35
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
HTR2B P41595 3/20 0.35
KCNH2 Q12809 3/20 0.35
HRH2 P25021 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
SCHEMBL4697390 0.93 CACNA1H (0.35) LMNATSHRHTTKDM4EMAPK1
SCHEMBL4695304 0.82 SLC6A2 (0.33) LMNACHRM2SLC6A2SLC6A3ADRA2A
SCHEMBL4692954 0.82 BCHE (0.36) LMNACHRM2SLC6A2SLC6A3ADRA2A
SCHEMBL4692912 0.81 LMNA (0.30) LMNACHRM2SLC6A2SLC6A3ADRA2A
SCHEMBL4696040 0.79 ADRB2 (0.34) HTR2AHTR2CACHEHTR7ALDH1A1
SCHEMBL4694071 0.77 SIGMAR1 (0.33) HRH1SIGMAR1HRH3
SCHEMBL5233167 0.76 CACNA1H (0.32)
SCHEMBL4694471 0.76 CYP1A2 (0.34) LMNACHRM2SLC6A2SLC6A3ADRA2A
SCHEMBL4695703 0.75 CACNA1H (0.34) HTR6ACHEALDH1A1HRH3
SCHEMBL4694431 0.74 MAPK1 (0.32) LMNACHRM2SLC6A2SLC6A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509528-B1 1,3-DIAZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF GLAXOSMITHKLINE ZAGREB (HR) 2008-09-24 EP claimed
EP-1684749-B1 USE OF 1,3-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) 2007-09-05 EP claimed
US-20070129330-A1 1,3-Diaza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2007-06-07 US claimed
US-7166583-B2 1,3-diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2007-01-23 US claimed
US-20050227963-A1 1,3-diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2005-10-13 US claimed
US-20070129330-A1 1,3-Diaza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2007-06-07 US disclosed
EP-1684749-A1 USE OF 1,3-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) 2006-08-02 EP disclosed
WO-2005049016-A1 USE OF 1,3-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-20070129330-A1 1,3-Diaza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders DBH, BCHE, DDT LMNA 1828/4885CHRM2 104/4885SLC6A2 46/4885
US-20050227963-A1 1,3-diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof IL1A, TNF, IL1B LMNA 3762/4885CHRM2 3659/4885SLC6A2 4811/4885

“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.