SCHEMBL5863241

SCHEMBL5863241

CCNC(=O)C1(CCCCN2CCN(c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4)CC2)c2ccccc2Sc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.42
DRD5 P21918 3/20 0.42
DRD3 P35462 3/20 0.42
HTR1A P08908 1/20 0.42
HTR7 P34969 10/20 0.41
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
ACACB O00763 1/20 0.39
TMEM97 Q5BJF2 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 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

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
SCHEMBL5863614 0.98 DRD2 (0.41) DRD2DRD5DRD3HTR1AHTR7
SCHEMBL5864088 0.94 HTR7 (0.42) DRD2DRD5DRD3HTR1AHTR7
SCHEMBL5863263 0.94 LMNA (0.43) DRD2DRD5DRD3HTR1AHTR7
SCHEMBL5864275 0.93 DRD3 (0.41) DRD2DRD3HTR7TMEM97SIGMAR1
SCHEMBL5863312 0.93 HTR7 (0.42) DRD2DRD5DRD3HTR1AHTR7
SCHEMBL5863552 0.92 DRD2 (0.46) DRD2DRD5DRD3HTR1AHTR7
SCHEMBL5864030 0.92 HTR7 (0.42) DRD2DRD5DRD3HTR1AHTR7
SCHEMBL5864146 0.92 DRD3 (0.45) DRD2DRD3HTR1AHTR7HTR2A
SCHEMBL5863642 0.91 LMNA (0.43) DRD2DRD5DRD3HTR1AHTR7
SCHEMBL5864255 0.91 DRD3 (0.40) DRD2DRD3HTR7TMEM97SIGMAR1

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 625/4885DRD5 789/4885DRD3 862/4885

“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.