SCHEMBL7129896

SCHEMBL7129896

COc1c(Cl)cccc1SCCCCN1CCN(C2=COC(C3=CC=CCC3)=CO2)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.35
DRD2 P14416 11/20 0.34
DRD3 P35462 9/20 0.34
HTR2A P28223 5/20 0.33
DRD4 P21917 5/20 0.33
HTR2C P28335 4/20 0.33
DRD1 P21728 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
HTR2B P41595 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
SIGMAR1 Q99720 2/20 0.31
KCNH2 Q12809 2/20 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
SCHEMBL7128484 0.89 KDM4E (0.35) HTR1ADRD2DRD3DRD1ADRA1A
SCHEMBL7119357 0.87 HTR1A (0.39) HTR1ADRD2DRD3HTR2ADRD4
SCHEMBL7124367 0.87 GRM2 (0.40) DRD2DRD3HTR2ADRD4KDM4E
SCHEMBL7128124 0.87 KDM4E (0.34) HTR1ADRD2DRD3HTR2ADRD1
SCHEMBL7120263 0.87 KDM4E (0.34) HTR1ADRD2DRD3DRD4ADRA1A
SCHEMBL7126008 0.85 HTR1A (0.36) HTR1ADRD2DRD3HTR2AADRA1A
SCHEMBL7124383 0.84 DRD2 (0.34) HTR1ADRD2DRD3HTR2ADRD1
SCHEMBL7127254 0.83 HTR7 (0.36) DRD2DRD3HTR2A
SCHEMBL7120226 0.83 KDM4E (0.33) HTR1ADRD2HTR2AHTR2CADRA1D
SCHEMBL7128154 0.83 HTR1A (0.42) HTR1ADRD2DRD3HTR2ADRD4

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.