SCHEMBL5863945

SCHEMBL5863945

CCOC(=O)c1ccccc1N1CCN(CCC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.58
KCNA3 P22001 1/20 0.57
OPRM1 P35372 3/20 0.48
DRD2 P14416 2/20 0.48
DRD4 P21917 2/20 0.48
DRD3 P35462 2/20 0.48
HTR1D P28221 1/20 0.47
HTR2B P41595 1/20 0.47
OPRL1 P41146 1/20 0.47
TSHR P16473 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
SCHEMBL5864253 0.92 KCNA3 (0.54) HTR1AKCNA3OPRM1DRD2DRD4
SCHEMBL5864086 0.81 DRD2 (0.50) HTR1AKCNA3OPRM1DRD2DRD4
SCHEMBL5863534 0.81 KCNA3 (0.52) HTR1AKCNA3OPRM1DRD4OPRL1
SCHEMBL5864117 0.81 MAPT (0.56) KCNA3TSHR
SCHEMBL5863834 0.80 KCNA3 (0.51) HTR1AKCNA3OPRM1OPRL1
SCHEMBL5863895 0.79 KCNA3 (0.54) KCNA3TSHR
SCHEMBL5863467 0.79 HTR1A (0.49) HTR1AKCNA3OPRM1DRD2DRD4
SCHEMBL5864185 0.78 KCNA3 (0.49) HTR1AKCNA3HTR2B
SCHEMBL5863559 0.78 HTR1A (0.44) HTR1AKCNA3OPRM1DRD2DRD4
SCHEMBL28353455 0.78 TSHR (0.61) HTR1AOPRM1TSHR

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 HTR1A 1305/4885KCNA3 3018/4885OPRM1 513/4885

“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.