SCHEMBL5863358

SCHEMBL5863358

CC(NC(=O)C1(CCCCN2CCN(c3ccc4c(c3)C(=O)N(C3CCCCC3)C4)CC2)c2ccccc2-c2ccccc21)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.40
DRD2 P14416 3/20 0.40
DRD5 P21918 3/20 0.40
DRD1 P21728 3/20 0.38
MTTP P55157 2/20 0.38
MTR Q99707 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
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
HTR7 P34969 7/20 0.37
HTR1A P08908 1/20 0.36
PDK2 Q15119 1/20 0.35

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
SCHEMBL5863716 0.90 DRD3 (0.38) DRD3DRD2DRD5DRD1MTTP
SCHEMBL5863896 0.89 DRD3 (0.37) DRD3DRD2DRD5DRD1MTTP
SCHEMBL5863431 0.89 MTTP (0.49) DRD3DRD2DRD5DRD1MTTP
SCHEMBL5864251 0.88 MTTP (0.49) DRD3DRD2DRD5DRD1MTTP
SCHEMBL5863670 0.88 HTR7 (0.39) DRD3DRD2DRD5DRD1MTTP
SCHEMBL5863629 0.86 MTTP (0.47) DRD3DRD2DRD5DRD1MTTP
SCHEMBL5863333 0.86 HTR1A (0.44) DRD3DRD2DRD5MTRHTR7
SCHEMBL5863460 0.85 MTR (0.38) DRD3DRD2DRD5DRD1MTTP
SCHEMBL5863948 0.85 DRD3 (0.41) DRD3DRD2DRD5DRD1MTR
SCHEMBL5863524 0.85 DRD3 (0.40) DRD3DRD2DRD5DRD1MTTP

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 625/4885DRD5 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.