SCHEMBL7124328

SCHEMBL7124328

FC(F)(F)c1ccc(OCCCN2CCN(C3=COC(C4=CC=CCC4)=CO3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
DRD1 P21728 2/20 0.47
DRD3 P35462 2/20 0.47
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
EPHX2 P34913 2/20 0.41
HRH3 Q9Y5N1 8/20 0.41
LTA4H P09960 1/20 0.40
CACNA1B Q00975 2/20 0.39
CACNA1H O95180 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 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
SCHEMBL7124155 0.88 HTR1A (0.46) DRD2DRD1DRD3HRH3SIGMAR1
SCHEMBL4875788 0.81 DRD3 (0.36) DRD2DRD1DRD3SIGMAR1HTR1A
SCHEMBL7121401 0.81 DRD2 (0.38) DRD2DRD1DRD3EPHX2SIGMAR1
SCHEMBL7125207 0.81 KDM4E (0.47) DRD2DRD1DRD3HRH3SIGMAR1
SCHEMBL4871980 0.81 DRD2 (0.34) DRD2DRD1DRD3SLC6A2SLC6A4
SCHEMBL7128154 0.80 HTR1A (0.42) DRD2DRD3SIGMAR1HTR1AHTR2A
SCHEMBL7118092 0.80 HTR1A (0.33) DRD2DRD1DRD3SLC6A2SLC6A4
SCHEMBL7127097 0.79 DRD2 (0.43) DRD2DRD1DRD3LTA4HHTR1A
SCHEMBL7119008 0.79 KDM4E (0.37) DRD2DRD1DRD3SLC6A4SIGMAR1
SCHEMBL7128466 0.79 L3MBTL1 (0.47) DRD2DRD3HRH3SIGMAR1HTR1A

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 7/4885DRD1 12/4885DRD3 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.