SCHEMBL1448587

SCHEMBL1448587

CCCCN(C(=O)Nc1cc(C(N)=O)c(F)cc1F)C1CCN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.41
UBE2M P61081 7/20 0.41
DCUN1D1 Q96GG9 7/20 0.41
MCHR1 Q99705 4/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PTBP1 P26599 1/20 0.40
LTA4H P09960 1/20 0.38
TP53 P04637 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
SCHEMBL30227264 1.00 CCR5 (0.41) CCR5UBE2MDCUN1D1MCHR1ALDH1A1
Hydrochloric Acid SCHEMBL1449812 0.99 CCR5 (0.42) CCR5UBE2MDCUN1D1MCHR1ALDH1A1
SCHEMBL1981093 0.96 UBE2M (0.39) CCR5UBE2MDCUN1D1MCHR1LMNA
Hydrochloric Acid SCHEMBL842054 0.95 CCR5 (0.40) CCR5UBE2MDCUN1D1MCHR1LMNA
SCHEMBL1981028 0.94 UBE2M (0.42) UBE2MDCUN1D1MCHR1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL843043 0.94 UBE2M (0.41) UBE2MDCUN1D1MCHR1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL1449792 0.93 CCR5 (0.42) CCR5UBE2MDCUN1D1MCHR1ALDH1A1
SCHEMBL1983004 0.93 MCHR1 (0.39) CCR5UBE2MDCUN1D1MCHR1ALDH1A1
SCHEMBL842452 0.93 MCHR1 (0.39) CCR5UBE2MDCUN1D1MCHR1ALDH1A1
SCHEMBL1981333 0.93 MCHR1 (0.43) UBE2MDCUN1D1MCHR1ALDH1A1LMNA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385040-A1 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient ONO Pharmaceutical Co., Ltd. (JP) 2011-11-09 EP claimed
US-20060178399-A1 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-08-10 US claimed
EP-1604981-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2005-12-14 EP claimed
EP-4143235-A1 METHODS AND COMPOSITIONS FOR TREATING CYTOKINE STORM INFECTIONS, INCLUDING COVID-19, BY INHIBITING CCR5/CCL5 INTERACTION IncellDx, Inc. (US) 2023-03-08 EP disclosed
WO-2021222069-A1 METHODS AND COMPOSITIONS FOR TREATING CYTOKINE STORM INFECTIONS, INCLUDING COVID-19, BY INHIBITING CCR5/CCL5 INTERACTION INCELLDX, INC. (US) 2021-11-04 WO disclosed
EP-2385040-A1 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient ONO Pharmaceutical Co., Ltd. (JP) 2011-11-09 EP disclosed
US-7910741-B2 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2011-03-22 US disclosed
US-20070270429-A1 Function Inhibitor of Effector Cell ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
US-20060178399-A1 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-08-10 US disclosed
EP-1604981-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2005-12-14 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 (2 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-20060178399-A1 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient HLA-DRB1, ELANE, MMP8 CCR5 712/4885UBE2M 3256/4885DCUN1D1 3114/4885
US-20070270429-A1 Function Inhibitor of Effector Cell CCR5, CXCR3, CCR1 CCR5 1/4885UBE2M 4433/4885DCUN1D1 2863/4885

“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.