SCHEMBL5863910

SCHEMBL5863910

O=C1c2nc(N3CCN(CCC(c4ccccc4)c4ccccc4)CC3)ccc2CCN1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.43
HTR1A P08908 4/20 0.43
HTR2A P28223 3/20 0.43
TACR1 P25103 2/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 2/20 0.39
DRD3 P35462 2/20 0.39
MTR Q99707 1/20 0.38
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
GRM5 P41594 1/20 0.37
HTR7 P34969 1/20 0.37

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
SCHEMBL5863268 0.80 DRD3 (0.44) CCR2HTR1AHTR2ADRD2DRD1
SCHEMBL7228845 0.79 DRD2 (0.47) CCR2HTR1ADRD2DRD1DRD3
SCHEMBL7230154 0.75 CCR2 (0.53) CCR2HTR1AHTR2ADRD2DRD1
SCHEMBL5863275 0.74 IDH1 (0.46) CCR2HTR1ADRD1DRD3
SCHEMBL7230735 0.74 DRD2 (0.53) HTR1ADRD2DRD1DRD3ADRA1D
SCHEMBL7228812 0.74 SIGMAR1 (0.47) HTR1ADRD2DRD1DRD3HTR7
SCHEMBL7228916 0.73 DRD3 (0.48) HTR1ADRD2DRD1DRD3GRM5
SCHEMBL7229724 0.73 DRD2 (0.44) CCR2HTR1ADRD2DRD1DRD3
SCHEMBL7238192 0.73 ADRA1D (0.48) CCR2HTR1ADRD2DRD1DRD3
SCHEMBL7238667 0.73 DRD2 (0.44) CCR2HTR1ADRD2DRD1DRD3

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 CCR2 1336/4885HTR1A 1305/4885HTR2A 1170/4885

“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.