SCHEMBL5863813

SCHEMBL5863813

CCCN1CCNCC1(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.42
HTR2A P28223 1/20 0.39
DRD4 P21917 1/20 0.37
SIGMAR1 Q99720 3/20 0.36
DRD2 P14416 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC22A1 O15245 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
Methylamine SCHEMBL27471205 0.97 OPRM1 (0.40) OPRM1HTR2ADRD4SIGMAR1DRD2
SCHEMBL28287844 0.91 OPRM1 (0.37) OPRM1HTR2ADRD4SIGMAR1ALDH1A1
SCHEMBL6371585 0.90 FAAH (0.39) OPRM1MEN1KMT2A
Pyridine SCHEMBL28101957 0.84 CYP1A2 (0.33) OPRM1HTR2AALDH1A1KMT2ASLC6A4
SCHEMBL5915111 0.82 OPRM1 (0.40) OPRM1HTR2ASIGMAR1DRD2
SCHEMBL5915123 0.80 OPRM1 (0.39) OPRM1HTR2ASIGMAR1DRD2ALDH1A1
SCHEMBL7245634 0.78 HTR2A (0.44) OPRM1HTR2ADRD4SIGMAR1MEN1
Alcohol SCHEMBL27819586 0.78 HTR2A (0.39) OPRM1HTR2ADRD4SIGMAR1SLC22A1
SCHEMBL8223305 0.74 FAAH (0.38) OPRM1HTR2ASIGMAR1MEN1ALDH1A1
SCHEMBL28269595 0.74 ALDH1A1 (0.39) OPRM1HTR2AMEN1ALDH1A1KMT2A

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 OPRM1 513/4885HTR2A 1170/4885DRD4 599/4885

“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.