SCHEMBL7124989

SCHEMBL7124989

Fc1ccc(SCCCCN2CCN(c3cccc4ccsc34)CC2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.48
HTR1A P08908 13/20 0.48
HTR2A P28223 10/20 0.48
DRD3 P35462 7/20 0.39
HTR2C P28335 2/20 0.39
DRD4 P21917 3/20 0.38
ADRA1D P25100 3/20 0.38
ADRA1A P35348 3/20 0.38
ADRA1B P35368 3/20 0.38
DRD1 P21728 2/20 0.38
DRD5 P21918 1/20 0.38
KCNH2 Q12809 2/20 0.38
HTR2B P41595 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL7124349 0.97 DRD2 (0.46) DRD2HTR1AHTR2ADRD3HTR2C
SCHEMBL7129868 0.84 DRD2 (0.50) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL7126246 0.83 DRD2 (0.53) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL7119957 0.82 DRD2 (0.50) DRD2HTR1AHTR2ADRD3KCNH2
SCHEMBL7127109 0.80 DRD2 (0.47) DRD2HTR1AHTR2ADRD3HTR2C
SCHEMBL7119363 0.80 DRD2 (0.52) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL7120429 0.80 DRD2 (0.52) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL7118643 0.79 HTR1A (0.55) DRD2HTR1ADRD4ADRA1AHTR2B
SCHEMBL7120303 0.79 DRD2 (0.49) DRD2HTR1AHTR2ADRD3ADRA1D
SCHEMBL7117583 0.79 DRD2 (0.55) DRD2HTR1AHTR2ADRD3KCNH2

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 DRD2 7/4885HTR1A 74/4885HTR2A 176/4885

“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.