SCHEMBL5864028

SCHEMBL5864028

COc1cccc(CN2Cc3ccc(N4CCN(CCCCC5(C(=O)NCC(F)(F)F)c6ccccc6Sc6ccccc65)CC4)cc3C2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 8/20 0.43
DRD2 P14416 5/20 0.43
DRD1 P21728 2/20 0.43
HTR1A P08908 10/20 0.41
HTR7 P34969 3/20 0.40
DRD5 P21918 1/20 0.40
HTR2A P28223 5/20 0.38
HTR2C P28335 3/20 0.38
HTR6 P50406 2/20 0.38
MTTP P55157 2/20 0.38
KCNH2 Q12809 2/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 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
SCHEMBL5863565 0.98 DRD3 (0.42) DRD3DRD2DRD1HTR1AHTR7
SCHEMBL5863978 0.94 DRD3 (0.49) DRD3DRD2DRD1HTR1AHTR7
SCHEMBL5864034 0.94 DRD3 (0.46) DRD3DRD2DRD1HTR1AHTR7
SCHEMBL5863764 0.92 DRD3 (0.48) DRD3DRD2DRD1HTR1AHTR7
SCHEMBL5864146 0.92 DRD3 (0.45) DRD3DRD2DRD1HTR1AHTR7
SCHEMBL5864413 0.92 LMNA (0.43) DRD3DRD2DRD1HTR1AHTR7
SCHEMBL5863232 0.92 DRD3 (0.45) DRD3DRD2DRD1HTR1AHTR7
SCHEMBL5863820 0.91 DRD3 (0.42) DRD3DRD2DRD1HTR1AHTR7
SCHEMBL5863555 0.91 DRD3 (0.44) DRD3DRD2DRD1HTR1AHTR7
SCHEMBL5863979 0.91 DRD3 (0.41) DRD3DRD2DRD1HTR1AHTR7

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 DRD3 862/4885DRD2 625/4885DRD1 496/4885

“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.