SCHEMBL4843776

SCHEMBL4843776

CN(C)CCOCc1scc2c1-c1ccccc1Oc1ccccc1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
HTR7 P34969 2/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
TSHR P16473 1/20 0.33
ADRA2B P18089 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33
HRH2 P25021 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL4849242 0.93 CACNA1B (0.36) CYP1A2CYP2D6CHRM2ADRA2ASLC6A4
SCHEMBL4848841 0.89 MAPK1 (0.39) ADRB1HTR7ALDH1A1LMNACYP1A2
SCHEMBL4848443 0.89 MAPK1 (0.39) ADRB1HTR7ALDH1A1LMNACYP1A2
SCHEMBL4850979 0.82 MAPK1 (0.38) ADRB1HTR7LMNACYP1A2CYP2D6
SCHEMBL5245850 0.81 CHRM2 (0.38) ADRB2ADRB1HTR7ALDH1A1LMNA
SCHEMBL4849206 0.81 KDM4E (0.30) KDM4EMAPK1
SCHEMBL5940770 0.79 LMNA (0.37) HTR7LMNACYP1A2CYP2D6CHRM2
SCHEMBL4042515 0.74 ALDH1A1 (0.37) ADRB2ADRB1HTR7ALDH1A1LMNA
Hydrochloric Acid SCHEMBL4039575 0.73 KDM4E (0.36) ADRB2ADRB1HTR7ALDH1A1LMNA
SCHEMBL4851300 0.73 HRH1 (0.38) ADRB2ADRB1HTR7ALDH1A1LMNA

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-7435834-B2 2-thia-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O. (HR) 2008-10-14 US claimed
EP-1684702-B1 USE OF 2-THIA-DIBENZO[E,H]AZULENES FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GLAXOSMITHKLINE ZAGREB (HR) 2007-09-19 EP claimed
US-20060241099-A1 USE OF 2-THIA-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) 2006-10-26 US claimed
EP-1509530-B1 2-THIA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA ISTRAZIVACKI INST D O O (HR) 2006-03-15 EP claimed
US-20050182126-A1 2-Thia-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PILVA-ISTRAZIVACKI INSTITUT D.O.O. 2005-08-18 US claimed
US-20050131056-A1 2- thia-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-06-16 US claimed
US-7435834-B2 2-thia-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O. (HR) 2008-10-14 US disclosed
EP-1684702-B1 USE OF 2-THIA-DIBENZO[E,H]AZULENES FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GLAXOSMITHKLINE ZAGREB (HR) 2007-09-19 EP disclosed
US-20060241099-A1 USE OF 2-THIA-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) 2006-10-26 US disclosed
EP-1684702-A2 USE OF 2-THIA-DIBENZO(E,H) AZULENES FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEAES AND DISORDERS PLIVA-ISTRAZIVACKI INSTITUT d.o.o. (HR) 2006-08-02 EP disclosed
EP-1509530-B1 2-THIA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA ISTRAZIVACKI INST D O O (HR) 2006-03-15 EP disclosed
US-20050182126-A1 2-Thia-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PILVA-ISTRAZIVACKI INSTITUT D.O.O. 2005-08-18 US disclosed
US-20050131056-A1 2- thia-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-06-16 US disclosed
WO-2005041856-A2 USE OF 2-THIA-DIBENZO[E, H]AZULENES FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-05-12 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 (3 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-20050182126-A1 2-Thia-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof IL1A, TNF, IL1B ADRB2 432/4885ADRB1 272/4885HTR7 3128/4885
US-20060241099-A1 USE OF 2-THIA-DIBENZO[E,H]AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS DBH, MAOB, BCHE ADRB2 35/4885ADRB1 46/4885HTR7 126/4885
US-20050131056-A1 2- thia-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof IL1A, TNF, IL1B ADRB2 465/4885ADRB1 293/4885HTR7 3241/4885

“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.