SCHEMBL5863900

SCHEMBL5863900

O=c1c2cc(N3CCNCC3)ccc2cnn1Cc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HTR6 P50406 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.47
GAA P10253 1/20 0.47
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
AURKA O14965 2/20 0.40
AURKB Q96GD4 1/20 0.40
GRK2 P25098 1/20 0.40
ROCK1 Q13464 1/20 0.40
RPS6KA1 Q15418 1/20 0.40
KDM4E B2RXH2 2/20 0.40
GFER P55789 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40

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
SCHEMBL5864286 0.89 HTR2C (0.51) ALDH1A1HTR6MAPTHTTDRD2
SCHEMBL5864100 0.81 ALDH1A1 (0.47) ALDH1A1HTR6MAPTGAADRD2
SCHEMBL5864063 0.79 ALDH1A1 (0.51) ALDH1A1HTTAURKAAURKBGRK2
SCHEMBL9146392 0.78 PKM (0.53) ALDH1A1HTTAURKAAURKBGRK2
SCHEMBL5864274 0.74 PDE5A (0.43) ALDH1A1MAPTHTTGAAKDM4E
SCHEMBL13217900 0.73 DPP4 (0.50) HTR3APIM1
SCHEMBL9145645 0.72 NPBWR1 (0.47) MAPTHTTAURKAGRK2ROCK1
SCHEMBL5863818 0.71 CCR2 (0.43) ALDH1A1HTTKDM4ESIGMAR1TDP1
SCHEMBL5864061 0.71 ALDH1A1 (0.45) ALDH1A1MAPTHTTKDM4EHTR3E
SCHEMBL5360445 0.69 DPP4 (0.47) HTR6HTR3APDE3BPDE3A

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 ALDH1A1 1345/4885HTR6 1531/4885MAPT 4733/4885

“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.