SCHEMBL7124367

SCHEMBL7124367

Clc1cccc(SCCCN2CCN(C3=COC(C4=CC=CCC4)=CO3)CC2)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.40
DRD2 P14416 14/20 0.36
DRD3 P35462 12/20 0.36
HTR2A P28223 3/20 0.32
MCHR1 Q99705 1/20 0.32
HTR7 P34969 3/20 0.32
DRD4 P21917 5/20 0.31
HTR6 P50406 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 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
SCHEMBL7127254 0.95 HTR7 (0.36) GRM2DRD2DRD3HTR2AHTR7
SCHEMBL7128124 0.93 KDM4E (0.34) GRM2DRD2DRD3HTR2AHTR7
SCHEMBL7128484 0.90 KDM4E (0.35) GRM2DRD2DRD3HTR7HTR6
SCHEMBL7124383 0.90 DRD2 (0.34) DRD2DRD3HTR2AKDM4ELMNA
SCHEMBL7120263 0.88 KDM4E (0.34) DRD2DRD3DRD4KDM4ELMNA
SCHEMBL7120226 0.87 KDM4E (0.33) DRD2HTR2AHTR7HTR6KDM4E
SCHEMBL7129896 0.87 HTR1A (0.35) DRD2DRD3HTR2ADRD4KDM4E
SCHEMBL7117421 0.86 CYP1A2 (0.48) DRD2DRD3HTR2AHTR7HTR6
SCHEMBL7128483 0.86 DRD2 (0.35) GRM2DRD2DRD3HTR2AHTR7
SCHEMBL7124127 0.85 HTR1A (0.32) DRD2DRD3HTR2ADRD4KDM4E

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 GRM2 68/4885DRD2 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.