SCHEMBL4037140

SCHEMBL4037140

CN(C)CCCOCc1cc2c(s1)-c1cc(Cl)ccc1Oc1ccccc1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
ADRA2A P08913 5/20 0.34
DRD2 P14416 5/20 0.34
DRD1 P21728 5/20 0.34
HRH1 P35367 5/20 0.34
DRD3 P35462 5/20 0.34
CHRM2 P08172 3/20 0.34
HTR1A P08908 3/20 0.34
ADORA3 P0DMS8 3/20 0.34
CHRM1 P11229 3/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
ADRA1A P35348 3/20 0.34
OPRM1 P35372 3/20 0.34
SLC6A3 Q01959 3/20 0.34
KCNH2 Q12809 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
MLNR O43193 2/20 0.34
NR1I2 O75469 2/20 0.34
PTGS1 P23219 2/20 0.34

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
SCHEMBL4037112 0.94 HTR2A (0.38) MAPK1ADRA2ADRD2DRD1HRH1
SCHEMBL4035884 0.90 CACNA1H (0.36) ADRA2ADRD1DRD3CHRM2HTR1A
Hydrochloric Acid SCHEMBL4038349 0.89 CACNA1H (0.35) MAPK1ADRA2ADRD1DRD3CHRM2
SCHEMBL4043579 0.88 HDAC3 (0.41) HRH3MAOAACHEKDM4ECXCR1
SCHEMBL4046594 0.88 CYP1A2 (0.35) ADRA2ADRD2DRD1HRH1DRD3
Hydrochloric Acid SCHEMBL4039414 0.87 CYP1A2 (0.34) ADRA2ADRD2DRD1HRH1DRD3
SCHEMBL5425097 0.86 CACNA1H (0.35) MAPK1CYP1A2CYP2D6HRH3MAOA
SCHEMBL6341181 0.86 MAPK1 (0.36) MAPK1ADRA2ADRD2DRD1HRH1
SCHEMBL6336542 0.85 MAPK1 (0.36) MAPK1ADRA2ADRD2DRD1HRH1
SCHEMBL4035177 0.84 HRH3 (0.36) HRH3MAOAACHEKDM4E

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-1284977-B1 THIENODIBENZOAZULENE COMPOUNDS AS TUMOR NECROSIS FACTOR INHIBITORS GLAXOSMITHKLINE ZAGREB (HR) 2009-06-24 EP claimed
US-20050171091-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA D.D. (HR) 2005-08-04 US claimed
US-6897211-B2 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-05-24 US claimed
US-20030153750-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA FARMACEUTSKA INDUSTRIJA, DIONICKO DRUSTVO 2003-08-14 US claimed
EP-1284977-B1 THIENODIBENZOAZULENE COMPOUNDS AS TUMOR NECROSIS FACTOR INHIBITORS GLAXOSMITHKLINE ZAGREB (HR) 2009-06-24 EP disclosed
US-20050171091-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA D.D. (HR) 2005-08-04 US disclosed
US-6897211-B2 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-05-24 US disclosed
US-20030153750-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA FARMACEUTSKA INDUSTRIJA, DIONICKO DRUSTVO 2003-08-14 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-20030153750-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors TNF, IL1B, IL1A MAPK1 764/4885ADRA2A 948/4885DRD2 1902/4885
US-20050171091-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors TNF, IL1B, IL1A MAPK1 730/4885ADRA2A 971/4885DRD2 2024/4885

“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.