SCHEMBL5863834

SCHEMBL5863834

CCOC(=O)c1cc(N2CCN(CCC(c3ccccc3)c3ccccc3)CC2)ncc1C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.51
HTR1A P08908 2/20 0.45
ADORA2A P29274 1/20 0.43
P2RY12 Q9H244 2/20 0.43
OPRK1 P41145 1/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL5863754 0.89 HTR1A (0.49) KCNA3HTR1AOPRK1
SCHEMBL5863945 0.80 HTR1A (0.58) KCNA3HTR1AOPRM1OPRL1
SCHEMBL5863534 0.79 KCNA3 (0.52) KCNA3HTR1AADORA2AP2RY12OPRK1
SCHEMBL5864253 0.77 KCNA3 (0.54) KCNA3HTR1AOPRM1OPRL1MEN1
SCHEMBL5863741 0.77 CCR5 (0.45) OPRM1
SCHEMBL5863816 0.75 CCR5 (0.51)
SCHEMBL5863895 0.75 KCNA3 (0.54) KCNA3LMNAMAPT
SCHEMBL5864185 0.74 KCNA3 (0.49) KCNA3HTR1AP2RY12LMNAKDM4E
SCHEMBL5864117 0.73 MAPT (0.56) KCNA3LMNAKDM4EMEN1MAPT
SCHEMBL5863254 0.72 KMT2A (0.46) KDM4EMEN1MAPTKMT2A

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 KCNA3 3018/4885HTR1A 1305/4885ADORA2A 2696/4885

“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.