SCHEMBL5863589

SCHEMBL5863589

NCCCN1CCN(c2ccc3c(c2)C(=O)N(C2CCCCC2)C3)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
MTR Q99707 1/20 0.42
HSD17B10 Q99714 1/20 0.41
DRD2 P14416 4/20 0.39
DRD5 P21918 3/20 0.39
DRD3 P35462 3/20 0.39
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
RAD52 P43351 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL5863645 0.92 CYP2D6 (0.42) CYP2D6MTRHSD17B10DRD2DRD5
SCHEMBL7228616 0.88 KDM4E (0.46) MTRDRD2DRD5DRD3HTR1A
SCHEMBL7228079 0.86 SIGMAR1 (0.51) MTRDRD2DRD5DRD3HTR1A
SCHEMBL5863584 0.85 PARP1 (0.41) MTRDRD2DRD3HTR1A
SCHEMBL7229969 0.85 MTR (0.58) MTRDRD2DRD5DRD3HTR1A
SCHEMBL7238320 0.84 ADORA2A (0.40) MTRDRD2HTR1A
SCHEMBL7237431 0.82 MTR (0.66) MTRDRD2DRD5DRD3HTR1A
SCHEMBL7228784 0.82 MTR (0.66) MTRDRD2DRD5DRD3HTR1A
SCHEMBL7230716 0.81 MTR (0.67) CYP2D6MTRDRD2DRD5DRD3
SCHEMBL7230121 0.81 MTR (0.45) MTRDRD2DRD5DRD3HTR1A

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 CYP2D6 279/4885MTR 265/4885HSD17B10 345/4885

“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.