SCHEMBL1448649

SCHEMBL1448649

CCCCN(C(=O)Nc1ccc(F)c(C(N)=O)c1)C1CCN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 7/20 0.47
DCUN1D1 Q96GG9 7/20 0.47
MCHR1 Q99705 4/20 0.46
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PTBP1 P26599 1/20 0.45
TP53 P04637 3/20 0.42
CCR5 P51681 3/20 0.42
DRD2 P14416 2/20 0.42
ADRA1A P35348 2/20 0.42

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
SCHEMBL30227256 1.00 UBE2M (0.47) UBE2MDCUN1D1MCHR1LMNAALDH1A1
Hydrochloric Acid SCHEMBL1449356 0.99 UBE2M (0.46) UBE2MDCUN1D1MCHR1LMNAALDH1A1
Hydrochloric Acid SCHEMBL1450247 0.93 UBE2M (0.48) UBE2MDCUN1D1MCHR1LMNAALDH1A1
SCHEMBL2252476 0.92 UBE2M (0.43) UBE2MDCUN1D1MCHR1LMNAALDH1A1
SCHEMBL1448587 0.91 CCR5 (0.41) UBE2MDCUN1D1MCHR1LMNAALDH1A1
SCHEMBL30227264 0.91 CCR5 (0.41) UBE2MDCUN1D1MCHR1LMNAALDH1A1
Hydrochloric Acid SCHEMBL1448924 0.91 UBE2M (0.49) UBE2MDCUN1D1MCHR1LMNAALDH1A1
Hydrochloric Acid SCHEMBL1449812 0.91 CCR5 (0.42) UBE2MDCUN1D1MCHR1LMNAALDH1A1
Hydrochloric Acid SCHEMBL1448877 0.90 UBE2M (0.48) UBE2MDCUN1D1MCHR1LMNAALDH1A1
SCHEMBL1982347 0.88 ALDH1A1 (0.49) UBE2MDCUN1D1LMNAALDH1A1PTBP1

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 11 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-1623721-A1 EFFECTOR CELL FUNCTION INHIBITOR ONO PHARMACEUTICAL CO., LTD. (JP) 2006-02-08 EP 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 UBE2M 3256/4885DCUN1D1 3114/4885MCHR1 4444/4885
US-20070270429-A1 Function Inhibitor of Effector Cell CCR5, CXCR3, CCR1 UBE2M 4433/4885DCUN1D1 2863/4885MCHR1 1249/4885

“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.