SCHEMBL1449049

SCHEMBL1449049

CCCCN(C(=O)NC1CCCC(O)C1)C1CCN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 5/20 0.46
LTA4H P09960 4/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
PTBP1 P26599 1/20 0.39
MCHR1 Q99705 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR4 Q13639 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36

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
Hydrochloric Acid SCHEMBL1448729 0.99 CCR5 (0.46) CCR5LTA4HALDH1A1MEN1CYP2D6
Hydrochloric Acid SCHEMBL1449664 0.93 CCR5 (0.49) CCR5LTA4HALDH1A1LMNAPTBP1
Hydrochloric Acid SCHEMBL1449263 0.91 CCR5 (0.51) CCR5LTA4HALDH1A1LMNAPTBP1
Hydrochloric Acid SCHEMBL1448812 0.91 CCR5 (0.52) CCR5LTA4HALDH1A1LMNAPTBP1
Hydrochloric Acid SCHEMBL1449291 0.91 CCR5 (0.52) CCR5LTA4HALDH1A1LMNAPTBP1
Hydrochloric Acid SCHEMBL1448795 0.90 CCR5 (0.47) CCR5LTA4HALDH1A1MEN1CYP2D6
Hydrochloric Acid SCHEMBL1450171 0.90 CCR5 (0.49) CCR5LTA4HALDH1A1LMNAPTBP1
Hydrochloric Acid SCHEMBL1448917 0.88 CCR5 (0.52) CCR5LTA4HMCHR1HRH3
Hydrochloric Acid SCHEMBL1449273 0.87 CCR5 (0.47) CCR5LTA4HALDH1A1LMNAPTBP1
SCHEMBL12169821 0.87 CCR5 (0.47) CCR5LTA4HALDH1A1LMNAPTBP1

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 CCR5 712/4885LTA4H 375/4885ALDH1A1 1160/4885
US-20070270429-A1 Function Inhibitor of Effector Cell CCR5, CXCR3, CCR1 CCR5 1/4885LTA4H 215/4885ALDH1A1 786/4885

“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.