SCHEMBL3882852

SCHEMBL3882852

OCCn1ncc2c1-c1ccccc1Sc1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.38
CYP3A4 P08684 3/20 0.35
LMNA P02545 3/20 0.35
HTR1A P08908 3/20 0.35
ADRA2A P08913 3/20 0.35
ADRA1A P35348 3/20 0.35
DRD3 P35462 3/20 0.35
KCNH2 Q12809 3/20 0.35
CYP2D6 P10635 3/20 0.35
CYP2C19 P33261 3/20 0.35
DRD2 P14416 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HRH1 P35367 2/20 0.35
OPRK1 P41145 2/20 0.35
HTR2B P41595 2/20 0.35
HTR6 P50406 2/20 0.35
USP2 O75604 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
SCHEMBL4688011 0.76 PIM1 (0.36) PTGIRCYP3A4LMNAHTR1AADRA2A
SCHEMBL3882223 0.76 PTGIR (0.38) PTGIRLMNACYP2D6CYP1A2HIF1A
SCHEMBL3883589 0.75 KDM1A (0.38) CYP3A4LMNAHTR1AADRA2AADRA1A
SCHEMBL3882146 0.73 CYP2D6 (0.40) CYP3A4LMNAHTR1AADRA2AADRA1A
SCHEMBL3885071 0.71 KMT2A (0.44) PTGIRCYP3A4LMNAHTR1AADRA2A
SCHEMBL4695746 0.67 NPY5R (0.39) CYP3A4LMNAHTR1AADRA2AADRA1A
SCHEMBL17073678 0.63 ALDH1A1 (0.48) CYP3A4LMNAHTR1AADRA2AADRA1A
SCHEMBL19537629 0.63 ALDH1A1 (0.48) CYP3A4LMNAHTR1AADRA2AADRA1A
SCHEMBL10734725 0.62 LMNA (0.50) CYP3A4LMNAHTR1AADRA2AADRA1A
SCHEMBL6076416 0.62 MAPK14 (0.51) ALDH1A1NFKB1

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
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
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
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 PTGIR 1190/4885CYP3A4 652/4885LMNA 3931/4885
US-20070173492-A1 1,2-Diaza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders DBH, DDT, BCHE PTGIR 3028/4885CYP3A4 2050/4885LMNA 1930/4885

“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.