SCHEMBL5245299

SCHEMBL5245299

CN(C)CCCOCc1nc2c(s1)-c1ccccc1Oc1ccccc1-2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.36
CACNA1H O95180 1/20 0.34
CACNA1B Q00975 1/20 0.34
HTR1B P28222 1/20 0.33
MAOB P27338 2/20 0.32
TOP2A P11388 2/20 0.32
HRH1 P35367 1/20 0.32
LSS P48449 1/20 0.32
PTPN1 P18031 1/20 0.31
CXCR1 P25024 1/20 0.31
BCHE P06276 1/20 0.31
MAOA P21397 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL5245050 0.93 ADRB2 (0.34) HRH3MAOBHRH1BCHEMAOA
SCHEMBL5246318 0.91 MAPK1 (0.37) HRH3HRH1CXCR1MAOAACHE
SCHEMBL5244959 0.90 FLT3 (0.34) HRH3HRH1
SCHEMBL5244926 0.84 MAPK1 (0.38) HRH3HRH1CXCR1MAOAACHE
SCHEMBL5244955 0.83 HTR2C (0.33) HRH1
SCHEMBL5245045 0.83 NPY5R (0.45) HRH3HTR1BHRH1MAOAACHE
SCHEMBL4035884 0.78 CACNA1H (0.36) HRH3CACNA1HCACNA1BHTR1BMAOB
Hydrochloric Acid SCHEMBL4038349 0.77 CACNA1H (0.35) HRH3CACNA1HCACNA1BMAOBLSS
SCHEMBL5244856 0.76 NPY5R (0.36) HRH3HRH1MAOAACHE
SCHEMBL5182469 0.76 NR4A2 (0.35) HRH3CACNA1HCACNA1BHTR1BMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1684751-B1 USE OF 1-THIA-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) 2007-09-12 EP claimed
US-20070078123-A1 1-Thia-3-aza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders PILVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2007-04-05 US claimed
EP-1684751-B1 USE OF 1-THIA-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) 2007-09-12 EP disclosed
US-20070078123-A1 1-Thia-3-aza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders PILVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2007-04-05 US disclosed
EP-1684751-A1 USE OF 1-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) 2006-08-02 EP disclosed
WO-2005049020-A1 USE OF 1-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) 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 (1 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-20070078123-A1 1-Thia-3-aza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders DBH, BCHE, MAOB HRH3 141/4885CACNA1H 358/4885CACNA1B 821/4885

“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.