SCHEMBL7119357

SCHEMBL7119357

COc1ccccc1SCCCCN1CCN(C2=COC(C3=CC=CCC3)=CO2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.39
DRD2 P14416 3/20 0.37
DRD3 P35462 3/20 0.37
HTR7 P34969 3/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
HRH2 P25021 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL7125711 0.87 SIGMAR1 (0.36) DRD2DRD3DRD4LMNA
SCHEMBL7127821 0.87 DRD2 (0.32) HTR1ADRD2DRD3HTR7ADRA2C
SCHEMBL7128484 0.87 KDM4E (0.35) HTR1ADRD2DRD3HTR7CYP1A2
SCHEMBL7129896 0.87 HTR1A (0.35) HTR1ADRD2DRD3DRD4HTR2A
SCHEMBL7118659 0.86 HTR7 (0.33) HTR1ADRD2HTR7ALDH1A1KDM4E
SCHEMBL7124127 0.85 HTR1A (0.32) HTR1ADRD2DRD3DRD4DRD5
SCHEMBL7128483 0.84 DRD2 (0.35) HTR1ADRD2DRD3HTR7ADRA2C
SCHEMBL7128124 0.84 KDM4E (0.34) HTR1ADRD2DRD3HTR7CYP1A2
SCHEMBL7125225 0.82 ADRA1B (0.32) HTR1AADRA1BALDH1A1KDM4E
SCHEMBL7128905 0.82 MEN1 (0.32) HTR7MEN1KMT2AADRA1AADRA1B

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
US-20030050306-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2003-03-13 US claimed
EP-1246820-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2002-10-09 EP claimed
WO-2001049683-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2001-07-12 WO claimed
US-20030050306-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2003-03-13 US disclosed
EP-1246820-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2002-10-09 EP disclosed
WO-2001049683-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2001-07-12 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 (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-20030050306-A1 Novel heteroaryl derivatives, their preparation and use CRBN, CDR2, DRD3 HTR1A 74/4885DRD2 7/4885DRD3 3/4885

“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.