SCHEMBL5863534

SCHEMBL5863534

CCOC(=O)c1ccnc(N2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c1C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.52
HTR1A P08908 2/20 0.42
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.42
OPRK1 P41145 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADORA2A P29274 1/20 0.41
DRD4 P21917 1/20 0.41
P2RY12 Q9H244 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
SCHEMBL5863877 0.88 HTR1A (0.46) KCNA3HTR1AOPRK1ALDH1A1
SCHEMBL5864253 0.82 KCNA3 (0.54) KCNA3HTR1AOPRM1OPRL1MAPT
SCHEMBL5863945 0.81 HTR1A (0.58) KCNA3HTR1AOPRM1OPRL1DRD4
SCHEMBL5863834 0.79 KCNA3 (0.51) KCNA3HTR1AOPRM1OPRL1OPRK1
SCHEMBL5863817 0.77 CCR5 (0.47) OPRM1
SCHEMBL7794410 0.76 LMNA (0.52) HTR1AOPRM1OPRK1MAPTMEN1
Hydrochloric Acid SCHEMBL7794406 0.75 LMNA (0.51) HTR1AOPRM1OPRK1MAPTMEN1
SCHEMBL5864025 0.75 CCR5 (0.54)
SCHEMBL5863895 0.74 KCNA3 (0.54) KCNA3MAPTALDH1A1
SCHEMBL5864185 0.73 KCNA3 (0.49) KCNA3HTR1AMAPTKDM4EMEN1

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 1305/4885OPRM1 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.