SCHEMBL5863524

SCHEMBL5863524

O=C1c2cc(N3CCN(CCCCC4(C(=O)NCc5ccccc5)c5ccccc5-c5ccccc54)CC3)ccc2CN1C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.40
HTR1A P08908 4/20 0.40
DRD2 P14416 4/20 0.40
DRD5 P21918 3/20 0.40
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
HTR2B P41595 3/20 0.39
HTR7 P34969 2/20 0.39
MTR Q99707 2/20 0.38
TMEM97 Q5BJF2 4/20 0.38
SIGMAR1 Q99720 4/20 0.38
HRH2 P25021 2/20 0.38
HRH1 P35367 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
ADRA2C P18825 1/20 0.38
ADRA2A P08913 2/20 0.38
ADRA1A P35348 2/20 0.38
MTTP P55157 2/20 0.38
CHRM2 P08172 1/20 0.38
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL5863670 0.91 HTR7 (0.39) DRD3HTR1ADRD2DRD5HTR7
SCHEMBL5863333 0.89 HTR1A (0.44) DRD3HTR1ADRD2DRD5HTR7
SCHEMBL5863611 0.89 DRD3 (0.37) DRD3HTR1ADRD2DRD5HTR7
SCHEMBL5863431 0.89 MTTP (0.49) DRD3HTR1ADRD2DRD5MTR
SCHEMBL5863460 0.89 MTR (0.38) DRD3HTR1ADRD2DRD5HTR7
SCHEMBL5864251 0.88 MTTP (0.49) DRD3DRD2DRD5HTR7MTR
SCHEMBL5863948 0.87 DRD3 (0.41) DRD3HTR1ADRD2DRD5HTR7
SCHEMBL5863629 0.87 MTTP (0.47) DRD3DRD2DRD5MTRADRA2A
SCHEMBL5863716 0.86 DRD3 (0.38) DRD3HTR1ADRD2DRD5HTR2A
SCHEMBL5863358 0.85 DRD3 (0.40) DRD3HTR1ADRD2DRD5HTR7

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 DRD3 862/4885HTR1A 1305/4885DRD2 625/4885

“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.