SCHEMBL7130688

SCHEMBL7130688

N#Cc1ccc(N2CCN(CCCOc3ccc(F)cc3Cl)CC2)c2c1OCCO2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.41
HTR1A P08908 8/20 0.41
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
DRD2 P14416 9/20 0.39
HRH3 Q9Y5N1 2/20 0.39
DRD3 P35462 4/20 0.39
DRD1 P21728 3/20 0.39
DRD4 P21917 3/20 0.39
DRD5 P21918 2/20 0.39
HTR7 P34969 1/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL7120297 0.89 KDM4E (0.40) HTR2AHTR1ADRD2DRD3DRD1
SCHEMBL7120408 0.89 HTR1A (0.46) HTR2AHTR1AADRA1DADRA1AADRA1B
SCHEMBL7118802 0.89 CYP1A2 (0.47) HTR2AHTR1ADRD2DRD3DRD1
SCHEMBL7116093 0.82 DRD2 (0.46) HTR2AHTR1ADRD2DRD3DRD1
SCHEMBL4868507 0.77 DRD2 (0.45) HTR2AHTR1ADRD2HRH3DRD3
SCHEMBL29785715 0.75 HTR1A (0.50) HTR2AHTR1ADRD2HTR7SLC6A4
SCHEMBL4878093 0.74 DRD2 (0.47) HTR2AHTR1ADRD2HRH3DRD3
SCHEMBL4875691 0.74 DRD2 (0.45) HTR2AHTR1ADRD2HRH3DRD3
SCHEMBL7119253 0.73 DRD2 (0.55) HTR1ADRD2
SCHEMBL4868382 0.73 DRD2 (0.42) HTR2ADRD2HRH3DRD3DRD1

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 HTR2A 176/4885HTR1A 74/4885ADRA1D 490/4885

“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.