SCHEMBL5864137

SCHEMBL5864137

O=C1c2cc(N3CCNCC3)ccc2CCN1Cc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.52
ITGA2B P08514 5/20 0.52
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
MAPKAPK2 P49137 1/20 0.47
DRD3 P35462 6/20 0.43
DRD1 P21728 3/20 0.43
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
PLD1 Q13393 1/20 0.41
RORC P51449 1/20 0.41
HTR6 P50406 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL7239005 0.81 DRD3 (0.46) ITGB3ITGA2BDDB1CRBNDRD3
SCHEMBL5863579 0.79 PDK2 (0.47) ALDH1A1RORCKDM4EMAPT
SCHEMBL29438673 0.79 DDB1 (0.58) DDB1CRBNDRD3DRD1ALDH1A1
SCHEMBL13820281 0.74 HRH3 (0.50) DDB1CRBNDRD3DRD1ALDH1A1
SCHEMBL29500355 0.74 DDB1 (0.52) DDB1CRBNDRD3DRD1ALDH1A1
SCHEMBL14480464 0.72 SCN1A (0.46) DDB1CRBNALDH1A1GAAKDM4E
Hydrochloric Acid SCHEMBL7228851 0.72 HDAC4 (0.53) ITGB3ITGA2BDRD3HTR1AHTR7
SCHEMBL13718347 0.71 SCN5A (0.57) DDB1CRBNALDH1A1KDM4EMAPT
SCHEMBL5864100 0.69 ALDH1A1 (0.47) DDB1CRBNMAPKAPK2HTR1AHTR7
SCHEMBL7237286 0.69 PARP10 (0.54) ITGB3ITGA2BDRD3HTR1AHTR7

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 ITGB3 3121/4885ITGA2B 2954/4885DDB1 1526/4885

“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.