SCHEMBL7120263

SCHEMBL7120263

Clc1cccc(Cl)c1SCCCCN1CCN(C2=COC(C3=CC=CCC3)=CO2)CC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
DRD2 P14416 7/20 0.33
DRD3 P35462 7/20 0.33
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
HTR1A P08908 1/20 0.31
KCNH2 Q12809 1/20 0.31
DRD4 P21917 2/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL7124383 0.97 DRD2 (0.34) KDM4ELMNADRD2DRD3ADRA1A
SCHEMBL7126008 0.94 HTR1A (0.36) KDM4ELMNADRD2DRD3ADRA1A
SCHEMBL7126212 0.94 DRD2 (0.32) LMNADRD2DRD3
SCHEMBL7128484 0.90 KDM4E (0.35) KDM4ELMNADRD2DRD3ADRA1A
SCHEMBL7125225 0.89 ADRA1B (0.32) KDM4EADRA1BHTR1AKCNH2ALDH1A1
SCHEMBL7124367 0.88 GRM2 (0.40) KDM4ELMNADRD2DRD3DRD4
SCHEMBL7128124 0.87 KDM4E (0.34) KDM4ELMNADRD2DRD3ADRA1A
SCHEMBL7129896 0.87 HTR1A (0.35) KDM4ELMNADRD2DRD3ADRA1A
SCHEMBL7123088 0.86 THRB (0.36) KDM4ELMNADRD2DRD3HTR1A
SCHEMBL7124335 0.85 CYP1A2 (0.45) KDM4EDRD2DRD3ADRA1AADRA1B

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 KDM4E 2331/4885LMNA 2521/4885DRD2 7/4885

“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.