SCHEMBL7119009

SCHEMBL7119009

Fc1ccc(OCCCCN2CCN(c3cccc4ccsc34)CC2)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.50
HTR2A P28223 14/20 0.50
HTR1A P08908 13/20 0.50
SLC6A4 P31645 10/20 0.49
KCNH2 Q12809 1/20 0.46
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 1/20 0.45
NLRP1 Q9C000 1/20 0.45
SLC6A2 P23975 1/20 0.44
ADRA1A P35348 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL7119957 0.89 DRD2 (0.50) DRD2HTR2AHTR1ASLC6A4KCNH2
SCHEMBL7123026 0.87 DRD2 (0.55) DRD2HTR2AHTR1ASLC6A4KCNH2
SCHEMBL7118961 0.85 HTR2A (0.55) DRD2HTR2AHTR1ASLC6A4KCNH2
SCHEMBL7119324 0.83 HTR2A (0.52) DRD2HTR2AHTR1ASLC6A4KCNH2
SCHEMBL7127886 0.82 HTR1A (0.52) DRD2HTR2AHTR1ASLC6A4KCNH2
SCHEMBL7120429 0.80 DRD2 (0.52) DRD2HTR2AHTR1ASLC6A4KCNH2
SCHEMBL7126131 0.80 HTR1A (0.47) DRD2HTR2AHTR1ASLC6A4KCNH2
SCHEMBL7128893 0.79 HTR2A (0.55) DRD2HTR2AHTR1ASLC6A4KCNH2
SCHEMBL7121850 0.79 HTR2A (0.56) DRD2HTR2AHTR1ASLC6A4SLC6A2
SCHEMBL7123065 0.79 HTR1A (0.56) DRD2HTR1A

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 7/4885HTR2A 176/4885HTR1A 74/4885

“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.