SCHEMBL5864091

SCHEMBL5864091

O=C1c2cc(N3CCN(CCCC4(C(=O)NCC(F)(F)F)c5ccccc5Oc5ccccc54)CC3)ccc2CCN1Cc1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 4/20 0.41
DRD3 P35462 4/20 0.41
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
CACNA1G O43497 1/20 0.38
HTR7 P34969 3/20 0.37
DRD2 P14416 4/20 0.37
DRD4 P21917 2/20 0.37
HTR1A P08908 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
HTR2A P28223 1/20 0.36
HTR6 P50406 1/20 0.36
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL5864199 0.98 DRD1 (0.40) DRD1DRD3MAPTTP53CACNA1G
SCHEMBL5864354 0.95 DRD2 (0.40) DRD1DRD3MAPTTP53CACNA1G
SCHEMBL5864230 0.94 DRD3 (0.42) DRD1DRD3DRD2DRD4CHRM2
SCHEMBL5863239 0.94 DRD3 (0.44) DRD1DRD3MAPTTP53CACNA1G
SCHEMBL5864178 0.93 DRD2 (0.41) DRD1DRD3MAPTTP53CACNA1G
SCHEMBL5863590 0.93 DRD3 (0.41) DRD1DRD3MAPTTP53HTR7
SCHEMBL5863280 0.93 DRD3 (0.42) DRD1DRD3DRD2DRD4CHRM2
SCHEMBL5864450 0.92 LMNA (0.43) DRD1DRD3MAPTDRD2DRD4
SCHEMBL5864022 0.92 DRD3 (0.44) DRD1DRD3MAPTTP53CACNA1G
SCHEMBL5864302 0.91 DRD1 (0.40) DRD1DRD3MAPTTP53CACNA1G

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 US disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 EP 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-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC DRD1 496/4885DRD3 862/4885MAPT 4733/4885

“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.