SCHEMBL5864031

SCHEMBL5864031

O=C1c2cc(N3CCN(CCCC4(C(=O)NCC(F)(F)F)c5ccccc5Sc5ccccc54)CC3)ccc2CN1Cc1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.40
DRD3 P35462 3/20 0.40
DRD5 P21918 2/20 0.40
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
CACNA1G O43497 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
RAD52 P43351 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR7 P34969 3/20 0.37
HTR1A P08908 2/20 0.37
DRD4 P21917 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HTR2A P28223 2/20 0.36
HTR6 P50406 1/20 0.36
MTTP P55157 2/20 0.36
CHRM2 P08172 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
SCHEMBL5864082 0.98 DRD2 (0.41) DRD2DRD3DRD5MAPTTP53
SCHEMBL5864362 0.94 DRD3 (0.41) DRD2DRD3DRD5MAPTLMNA
SCHEMBL5864302 0.94 DRD1 (0.40) DRD2DRD3MAPTTP53CACNA1G
SCHEMBL5864475 0.93 DRD3 (0.43) DRD2DRD3DRD5MAPTTP53
SCHEMBL5864118 0.93 DRD3 (0.40) DRD2DRD3DRD5MAPTTP53
SCHEMBL5863820 0.93 DRD3 (0.42) DRD2DRD3DRD5HTR7HTR1A
SCHEMBL5863391 0.92 DRD1 (0.40) DRD2DRD3MAPTTP53CACNA1G
SCHEMBL5863803 0.92 LMNA (0.43) DRD2DRD3DRD5MAPTTP53
SCHEMBL5864030 0.91 HTR7 (0.42) DRD2DRD3DRD5MAPTTP53
SCHEMBL5863581 0.91 DRD3 (0.45) DRD2DRD3DRD5MAPTTP53

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 DRD2 625/4885DRD3 862/4885DRD5 789/4885

“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.