SCHEMBL4037112

SCHEMBL4037112

CN(C)CCOCc1cc2c(s1)-c1cc(Cl)ccc1Oc1ccccc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.38
HTR2C P28335 7/20 0.38
HRH1 P35367 6/20 0.38
DRD2 P14416 6/20 0.38
ADRA2A P08913 5/20 0.38
DRD1 P21728 5/20 0.38
DRD3 P35462 5/20 0.38
ADRA2C P18825 4/20 0.38
CHRM2 P08172 3/20 0.38
HTR1A P08908 3/20 0.38
ADORA3 P0DMS8 3/20 0.38
CHRM1 P11229 3/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
ADRA1A P35348 3/20 0.38
OPRM1 P35372 3/20 0.38
SLC6A3 Q01959 3/20 0.38
KCNH2 Q12809 3/20 0.38
HTR2B P41595 3/20 0.38
DRD4 P21917 3/20 0.38

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
SCHEMBL4037140 0.94 MAPK1 (0.36) HTR2AHTR2CHRH1DRD2ADRA2A
SCHEMBL4042515 0.90 ALDH1A1 (0.37) HTR2AHTR2CHRH1ADRA2ADRD3
Hydrochloric Acid SCHEMBL4039575 0.89 KDM4E (0.36) HTR2AHTR2CHRH1ADRA2ADRD3
SCHEMBL4037508 0.87 HTR2C (0.35) HTR2AHTR2CHRH1DRD2ADRA2A
Hydrochloric Acid SCHEMBL4040618 0.86 HTR2C (0.35) HTR2AHTR2CHRH1DRD2ADRA2A
SCHEMBL5428745 0.86 HDAC3 (0.33) ESR1MAPK1MAOAACHEADRB1
SCHEMBL6335810 0.85 MAPK1 (0.38) HTR2AHTR2CHRH1DRD2ADRA2A
SCHEMBL4040257 0.84 AHR (0.33) ESR1MAOAACHEHRH3ADRB1
SCHEMBL6341181 0.83 MAPK1 (0.36) HTR2AHTR2CHRH1DRD2ADRA2A
SCHEMBL6336542 0.83 MAPK1 (0.36) HTR2AHTR2CHRH1DRD2ADRA2A

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-2059508-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2009-05-20 EP disclosed
WO-2008020124-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2008-02-21 WO 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 HTR2A 3512/4885HTR2C 3559/4885HRH1 413/4885
US-20050171091-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors TNF, IL1B, IL1A HTR2A 3534/4885HTR2C 3616/4885HRH1 395/4885

“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.