SCHEMBL4692968

SCHEMBL4692968

CN(C)CCCOCc1nc2c(n1COCC[Si](C)(C)C)-c1ccccc1Oc1ccc(Cl)cc1-2

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.32
CXCR1 P25024 1/20 0.31
CHRM2 P08172 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
DRD1 P21728 1/20 0.30
PTGS1 P23219 1/20 0.30
SLC6A4 P31645 1/20 0.30
DRD3 P35462 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL4695749 0.97 MAPK1 (0.32) MAPK1CXCR1CHRM2HTR1AADRA2A
SCHEMBL4694428 0.92 MAPK1 (0.33) MAPK1CHRM2HTR1AADRA2ADRD1
SCHEMBL4692174 0.91 CACNA1H (0.32) DRD3
SCHEMBL4693179 0.90 MAPK1 (0.33) MAPK1CHRM2HTR1AADRA2ADRD1
SCHEMBL4694084 0.86 MAPK1 (0.33) MAPK1CHRM2HTR1AADRA2ADRD1
SCHEMBL4693882 0.86 LMNA (0.39) MAPK1CXCR1CHRM2HTR1AADRA2A
SCHEMBL4692914 0.86 ADRB2 (0.30)
SCHEMBL4696318 0.84 MAPK1 (0.36) MAPK1CHRM2HTR1AADRA2ADRD1
SCHEMBL5227480 0.84 MAPK1 (0.33) MAPK1CXCR1CHRM2HTR1AADRA2A
SCHEMBL4696603 0.81 DRD2 (0.42) MAPK1CHRM2HTR1AADRA2ADRD1

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
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 disclosed
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
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 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 MAPK1 2268/4885CXCR1 1239/4885CHRM2 104/4885
US-20050227963-A1 1,3-diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof IL1A, TNF, IL1B MAPK1 161/4885CXCR1 198/4885CHRM2 3659/4885

“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.