SCHEMBL5863388

SCHEMBL5863388

C=CCN(CC(F)(F)F)C(=O)C1(CCCCN2CCN(c3cccc(C(=O)N(CC=C)C4CCCCC4)c3)CC2)c2ccccc2-c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 8/20 0.37
HTR2A P28223 7/20 0.36
HTR2C P28335 4/20 0.36
DRD3 P35462 5/20 0.35
DRD2 P14416 4/20 0.35
DRD5 P21918 2/20 0.35
DRD1 P21728 3/20 0.35
ADRA1A P35348 2/20 0.35
KCNH2 Q12809 2/20 0.35
CHRM2 P08172 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
OPRM1 P35372 1/20 0.35
MTTP P55157 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MTR Q99707 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
SCHEMBL5863882 0.88 MTTP (0.48) HTR7DRD3DRD1ADRA1AKCNH2
SCHEMBL5863709 0.86 MTTP (0.45) DRD3DRD2DRD1ADRA1AKCNH2
SCHEMBL5864130 0.80 MTTP (0.49) DRD3DRD1ADRA1AKCNH2CHRM2
SCHEMBL5864019 0.80 MTTP (0.49) DRD3DRD1ADRA1AKCNH2CHRM2
SCHEMBL5863498 0.78 MTTP (0.48) HTR7DRD3DRD1ADRA1AKCNH2
SCHEMBL5863369 0.78 MTTP (0.47) DRD3DRD1ADRA1AKCNH2CHRM2
SCHEMBL5863397 0.78 MTTP (0.48) DRD3DRD2DRD1ADRA1AKCNH2
SCHEMBL5864180 0.78 MTTP (0.47) DRD3DRD1ADRA1AKCNH2CHRM2
SCHEMBL5863350 0.78 MTTP (0.48) DRD3DRD1ADRA1AKCNH2CHRM2
SCHEMBL5863527 0.75 DRD3 (0.41) HTR7DRD3DRD2DRD5DRD1

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 HTR7 1820/4885HTR2A 1170/4885HTR2C 1149/4885

“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.