SCHEMBL2293404

SCHEMBL2293404

CN(C)CCCOCc1nc2c(o1)-c1cc(Cl)ccc1Sc1ccccc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.45
CYP1A2 P05177 5/20 0.45
CYP2D6 P10635 5/20 0.45
CYP2C19 P33261 5/20 0.45
TDP1 Q9NUW8 4/20 0.45
HTR1A P08908 4/20 0.45
DRD2 P14416 4/20 0.45
CYP3A4 P08684 4/20 0.45
CHRM2 P08172 3/20 0.45
ADRA2A P08913 3/20 0.45
ADORA3 P0DMS8 3/20 0.45
CHRM1 P11229 3/20 0.45
DRD1 P21728 3/20 0.45
SLC6A2 P23975 3/20 0.45
SLC6A4 P31645 3/20 0.45
ADRA1A P35348 3/20 0.45
HRH1 P35367 3/20 0.45
OPRM1 P35372 3/20 0.45
DRD3 P35462 3/20 0.45
MC3R P41968 3/20 0.45

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
SCHEMBL30814239 1.00 LMNA (0.45) LMNACYP1A2CYP2D6CYP2C19TDP1
SCHEMBL5181405 0.96 LMNA (0.45) LMNACYP1A2CYP2D6CYP2C19TDP1
SCHEMBL5182498 0.94 HTR1A (0.48) LMNACYP1A2CYP2D6CYP2C19TDP1
SCHEMBL5184457 0.90 HTR1A (0.48) LMNACYP1A2CYP2D6CYP2C19TDP1
SCHEMBL5182835 0.90 CYP2D6 (0.38) LMNACYP1A2CYP2D6CYP2C19TDP1
SCHEMBL5181121 0.83 MAPK1 (0.39) HTR1ADRD2CHRM2ADRA2AADORA3
SCHEMBL5182899 0.83 MAPK1 (0.39) CYP1A2CYP2D6HTR1ADRD2CHRM2
SCHEMBL5182945 0.83 BCHE (0.38) LMNACYP1A2CYP2D6CYP2C19TDP1
SCHEMBL2289739 0.81 CYP2D6 (0.37) LMNACYP1A2CYP2D6CYP2C19TDP1
SCHEMBL30814201 0.81 CYP2D6 (0.37) LMNACYP1A2CYP2D6CYP2C19TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1684766-B1 USE OF 3-AZA-1-OXA-DIBENZO i e,h /i AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEAS AND DISORDERS GLAXOSMITHKLINE ZAGREB (HR) 2007-06-27 EP claimed
US-7232815-B2 1-oxa-3-aza-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the production thereof GLAXOSMITHKLINE (HR) 2007-06-19 US claimed
US-20070111990-A1 3-Aza-1-oxa-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2007-05-17 US claimed
EP-1492797-B1 1-OXA-3-AZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PRODUCTION THEREOF PLIVA ISTRAZIVACKI INST D O O (HR) 2006-03-15 EP claimed
US-20050148576-A1 1-Oxa-3-aza-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the production thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-07-07 US claimed
US-20050130956-A1 1-oxa 3-aza-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the production thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-06-16 US claimed
US-20110200618-A1 ERBB4 INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROPSYCHIATRIC DISORDERS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2011-08-18 US disclosed
EP-1684766-B1 USE OF 3-AZA-1-OXA-DIBENZO i e,h /i AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEAS AND DISORDERS GLAXOSMITHKLINE ZAGREB (HR) 2007-06-27 EP disclosed
US-20070111990-A1 3-Aza-1-oxa-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2007-05-17 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 (4 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-20050148576-A1 1-Oxa-3-aza-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the production thereof TNF, IL1A, IL1B LMNA 4705/4885CYP1A2 684/4885CYP2D6 492/4885
US-20050130956-A1 1-oxa 3-aza-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the production thereof TNF, IL1A, IL1B LMNA 4687/4885CYP1A2 535/4885CYP2D6 400/4885
US-20070111990-A1 3-Aza-1-oxa-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders AZI2, DBH, BCHE LMNA 2876/4885CYP1A2 290/4885CYP2D6 352/4885
US-20110200618-A1 ERBB4 INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROPSYCHIATRIC DISORDERS ERBB4, ERBB3, ERBB2 LMNA 4880/4885CYP1A2 3806/4885CYP2D6 3515/4885

“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.