SCHEMBL7124370

SCHEMBL7124370

Fc1ccc(SCCCCN2CCN(C3=COC(C4=CC=CCC4)=CO3)CC2)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.34
DRD2 P14416 3/20 0.34
HTR2A P28223 3/20 0.34
DRD3 P35462 3/20 0.34
DRD1 P21728 2/20 0.34
DRD5 P21918 2/20 0.34
HTR2C P28335 1/20 0.33
HRH1 P35367 1/20 0.33
ADRA1B P35368 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
TMEM97 Q5BJF2 1/20 0.30
THRB P10828 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
SCHEMBL7120272 0.97 DRD2 (0.37) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL7124269 0.92 CYP1A2 (0.36) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL7128484 0.88 KDM4E (0.35) HTR1ADRD2DRD3DRD1ADRA1B
SCHEMBL7124335 0.86 CYP1A2 (0.45) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL7128124 0.85 KDM4E (0.34) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL7119994 0.85 CYP1A2 (0.32) HTR1AADRA1BTMEM97
SCHEMBL7127821 0.84 DRD2 (0.32) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL7117421 0.84 CYP1A2 (0.48) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL7123088 0.84 THRB (0.36) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL7120263 0.84 KDM4E (0.34) HTR1ADRD2DRD3ADRA1B

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 7/4885HTR2A 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.