SCHEMBL5863740

SCHEMBL5863740

O=C(c1cccc(N2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c1)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.54
SLC6A4 P31645 2/20 0.54
MGLL Q99685 2/20 0.48
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
MAPT P10636 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.46
NPBWR1 P48145 1/20 0.46
KMT2A Q03164 1/20 0.46
MCHR1 Q99705 1/20 0.46

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
SCHEMBL5863335 0.80 KDM4E (0.57) DRD2HTR2AALDH1A1KDM4EMEN1
SCHEMBL10723602 0.79 MGLL (0.67) MGLLLMNATSHRMAPK1ALDH1A1
SCHEMBL5863919 0.78 CCR5 (0.46) DRD2HTR2A
SCHEMBL5863846 0.78 SMN1; SMN2 (0.52) DRD2HTR2AMAPTUSP2LMNA
SCHEMBL14600512 0.77 MEN1 (0.57) MGLLALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL5863894 0.77 CHRM2 (0.51)
SCHEMBL5863488 0.77 CCR5 (0.46) KMT2A
SCHEMBL5863558 0.76 HDAC1 (0.49) DRD2HTR2A
SCHEMBL5863790 0.76 MEN1 (0.51) MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5863963 0.76 HTR2C (0.51) MEN1KMT2A

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 SLC6A2 1584/4885SLC6A4 2192/4885MGLL 61/4885

“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.