SCHEMBL5863255

SCHEMBL5863255

C=CCN(C(=O)c1ccc(N2CCN(CCCC(C(=O)NCC(F)(F)F)(c3ccccc3)c3ccccc3)CC2)cc1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR7 P34969 2/20 0.39
SLC6A9 P48067 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
DRD2 P14416 5/20 0.38
DRD3 P35462 3/20 0.38
DRD4 P21917 3/20 0.38
CCR5 P51681 4/20 0.37
GAA P10253 1/20 0.37
CHRM4 P08173 1/20 0.36
CHRM3 P20309 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRM1 P35372 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
AGER Q15109 2/20 0.35
MTNR1A P48039 1/20 0.35
HSD11B1 P28845 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
SCHEMBL5863369 0.81 MTTP (0.47) SLC6A9SLC6A5DRD3ADRA1AOPRM1
SCHEMBL5864130 0.81 MTTP (0.49) DRD3ADRA1AOPRM1SLC6A2
SCHEMBL5864019 0.80 MTTP (0.49) DRD3ADRA1AOPRM1SLC6A2
SCHEMBL5863562 0.79 MTTP (0.42) ITKHTR2AHTR2CHTR7SLC6A9
SCHEMBL5863557 0.79 MTTP (0.42) ITKHTR2AHTR2CHTR7SLC6A9
SCHEMBL5863501 0.75 SLC6A9 (0.45) HTR2AHTR2CHTR7SLC6A9SLC6A5
SCHEMBL5863419 0.75 ALDH1A1 (0.49) HTR2AHTR2CHTR7DRD2DRD3
SCHEMBL5863709 0.74 MTTP (0.45) ITKDRD2DRD3ADRA1AOPRM1
SCHEMBL5863293 0.74 DRD3 (0.41) HTR2AHTR2CHTR7DRD2DRD3
SCHEMBL5863882 0.73 MTTP (0.48) HTR7DRD3ADRA1AOPRM1SLC6A2

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 ITK 3977/4885HTR2A 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.