SCHEMBL5864255

SCHEMBL5864255

CCNC(=O)C1(CCCN2CCN(c3ccc4c(c3)C(=O)N(Cc3ccccc3)CC4)CC2)c2ccccc2Sc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 9/20 0.40
DRD2 P14416 4/20 0.40
DRD1 P21728 3/20 0.40
DRD4 P21917 1/20 0.39
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
TMEM97 Q5BJF2 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
HTR6 P50406 1/20 0.37
HTR7 P34969 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL5864275 0.98 DRD3 (0.41) DRD3DRD2DRD1DRD4ITGB3
SCHEMBL5863427 0.94 HTR7 (0.41) DRD3DRD2DRD1DRD4SIGMAR1
SCHEMBL5863395 0.94 LMNA (0.43) DRD3DRD2DRD1DRD4KDM4E
SCHEMBL5863614 0.93 DRD2 (0.41) DRD3DRD2TMEM97SIGMAR1HTR7
SCHEMBL5863993 0.93 ATM (0.41) DRD3DRD2DRD1DRD4HTR7
SCHEMBL5864148 0.92 DRD3 (0.44) DRD3DRD2DRD1DRD4ITGB3
SCHEMBL5863901 0.92 HTR7 (0.42) DRD3DRD2DRD1DRD4HTR6
SCHEMBL5864081 0.92 DRD3 (0.50) DRD3DRD2DRD1DRD4HTR6
SCHEMBL5863749 0.92 LMNA (0.42) DRD3DRD2DRD1DRD4KDM4E
SCHEMBL5863241 0.91 DRD2 (0.42) DRD3DRD2TMEM97SIGMAR1HTR7

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.