SCHEMBL4037224

SCHEMBL4037224

CN(C)CCOCc1cc2c(s1)-c1cc(Cl)ccc1Sc1ccccc1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.52
HTR1A P08908 4/20 0.52
DRD1 P21728 4/20 0.52
HRH1 P35367 4/20 0.52
DRD3 P35462 4/20 0.52
CHRM2 P08172 3/20 0.52
ADRA2A P08913 3/20 0.52
ADORA3 P0DMS8 3/20 0.52
CHRM1 P11229 3/20 0.52
SLC6A2 P23975 3/20 0.52
SLC6A4 P31645 3/20 0.52
ADRA1A P35348 3/20 0.52
OPRM1 P35372 3/20 0.52
MC3R P41968 3/20 0.52
SLC6A3 Q01959 3/20 0.52
KCNH2 Q12809 3/20 0.52
MLNR O43193 2/20 0.52
NR1I2 O75469 2/20 0.52
PTGS1 P23219 2/20 0.52
CHRM4 P08173 2/20 0.52

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
Hydrochloric Acid SCHEMBL4039786 0.99 LMNA (0.51) DRD2HTR1ADRD1HRH1DRD3
SCHEMBL4040369 0.94 LMNA (0.48) DRD2HTR1ADRD1HRH1DRD3
Hydrochloric Acid SCHEMBL4041643 0.93 LMNA (0.49) DRD2HTR1ADRD1HRH1DRD3
SCHEMBL4038832 0.93 CYP3A4 (0.52) DRD2HTR1ADRD1HRH1DRD3
SCHEMBL6338922 0.93 CYP3A4 (0.52) DRD2HTR1ADRD1HRH1DRD3
Hydrochloric Acid SCHEMBL4036505 0.92 LMNA (0.53) DRD2HTR1ADRD1HRH1DRD3
SCHEMBL4037897 0.89 RAD52 (0.41) DRD2HTR1ADRD1HRH1DRD3
Hydrochloric Acid SCHEMBL4039720 0.89 CHRM2 (0.39) DRD2HTR1ADRD1HRH1DRD3
Hydrochloric Acid SCHEMBL4035920 0.88 RAD52 (0.43) DRD2HTR1ADRD1HRH1DRD3
SCHEMBL6333796 0.88 MLNR (0.38) DRD2HTR1ADRD1HRH1DRD3

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 4 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-7569575-B2 Formed via intermediates which are reactive with nucleophiles SANTARIS PHARMA A/S (DK) 2009-08-04 US disclosed
EP-1501848-B1 SYNTHESIS OF LOCKED NUCLEIC ACID DERIVATIVES SANTARIS PHARMA AS (DK) 2007-08-08 EP disclosed
US-20040014959-A1 Synthesis of locked nucleic acid derivatives SANTARIS PHARMA A/S (DK) 2004-01-22 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 (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-20040014959-A1 Synthesis of locked nucleic acid derivatives NSUN3, RNGTT, NSUN2 DRD2 4288/4885HTR1A 3547/4885DRD1 2936/4885

“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.