SCHEMBL5863584

SCHEMBL5863584

NC(=O)CCN1CCN(c2ccc3c(c2)C(=O)N(C2CCCCC2)C3)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
ESR2 Q92731 1/20 0.41
MTR Q99707 1/20 0.41
PARP2 Q9UGN5 3/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
HTR1A P08908 1/20 0.36
ADRA2C P18825 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ACACB O00763 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 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
SCHEMBL5863639 0.92 PARP1 (0.41) PARP1POLBHTTESR2MTR
SCHEMBL5863589 0.85 CYP2D6 (0.42) MTRHTR1ADRD2DRD3
SCHEMBL7238320 0.82 ADORA2A (0.40) MTRPARP2SIGMAR1HTR1ADRD2
SCHEMBL7228616 0.82 KDM4E (0.46) MTRHTR1ADRD2DRD3
SCHEMBL7237431 0.81 MTR (0.66) MTRHTR1AHRH3DRD2DRD3
SCHEMBL7228784 0.81 MTR (0.66) MTRHTR1AHRH3DRD2DRD3
SCHEMBL5863948 0.81 DRD3 (0.41) PARP1POLBHTTESR2MTR
SCHEMBL7228079 0.80 SIGMAR1 (0.51) MTRTMEM97SIGMAR1HTR1ADRD2
SCHEMBL7231372 0.80 SIGMAR1 (0.39) PARP1POLBHTTESR2MTR
SCHEMBL7230341 0.80 DRD4 (0.44) PARP1PARP2L3MBTL1TMEM97SIGMAR1

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 PARP1 4548/4885POLB 1984/4885HTT 3947/4885

“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.