SCHEMBL5863544

SCHEMBL5863544

Cc1ccc(N2CCN(CC(c3ccccc3)c3ccccc3)CC2)cc1C(=O)N(Cc1ccccc1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGER Q15109 3/20 0.43
MTNR1A P48039 1/20 0.43
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
UBE2M P61081 2/20 0.39
DCUN1D1 Q96GG9 2/20 0.39
RORC P51449 1/20 0.39
OPRM1 P35372 4/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
CCR5 P51681 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
SCHEMBL5864075 0.92 CCR5 (0.47) AGERMTNR1AUBE2MDCUN1D1OPRM1
SCHEMBL5863401 0.82 CCR5 (0.46) AGERMTNR1AUBE2MDCUN1D1OPRM1
SCHEMBL5863284 0.82 CCR5 (0.45) AGERMTNR1AOPRM1CCR5
SCHEMBL5863682 0.81 AGER (0.47) AGERMTNR1ACHRM2CHRM3UBE2M
SCHEMBL5863756 0.81 AGER (0.47) AGERMTNR1AUBE2MDCUN1D1OPRM1
SCHEMBL5864122 0.81 CCR5 (0.49) CCR5
SCHEMBL5863546 0.80 CCR5 (0.53) CCR5
SCHEMBL5864172 0.80 CCR5 (0.43) UBE2MDCUN1D1CCR5
SCHEMBL5863920 0.79 CCR5 (0.47) AGERMTNR1AOPRM1CCR5
SCHEMBL5863626 0.79 CCR5 (0.56) CCR5

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 AGER 2730/4885MTNR1A 713/4885CHRM2 1176/4885

“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.