SCHEMBL5863375

SCHEMBL5863375

CC(C)N(C(=O)c1cccc(N2CCN(CCC(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)c1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CCR5 P51681 9/20 0.44
DRD4 P21917 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
UTS2R Q9UKP6 1/20 0.41
HTR1A P08908 2/20 0.41

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
SCHEMBL5863396 0.93 CCR5 (0.50) HTR2CCCR5
SCHEMBL5863750 0.84 CCR5 (0.48) ALDH1A1LMNACCR5DRD4UTS2R
SCHEMBL5863781 0.83 AGER (0.55) CCR5HTR1A
SCHEMBL5863519 0.82 CCR5 (0.64) ALDH1A1CCR5
SCHEMBL5863963 0.80 HTR2C (0.51) HTR2CCCR5
SCHEMBL5863640 0.80 CCR5 (0.52) CCR5
SCHEMBL5863907 0.79 CCR5 (0.47) CCR5
SCHEMBL5863652 0.79 CCR5 (0.47) LMNACCR5
SCHEMBL5863862 0.78 AGER (0.49) CCR5
SCHEMBL5864155 0.77 MAPT (0.51) ALDH1A1LMNADRD4HTR1A

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 HTR2C 1149/4885ALDH1A1 1345/4885LMNA 508/4885

“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.