Aplaviroc

Aplaviroc

SCHEMBL4577106

CCCCN1C(=O)[C@@H](C(O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CCR5

The experimentally established mechanism targets of Aplaviroc. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 known ✓ P51681 20/20 1.00
CXCR4 P61073 2/20 1.00
CYP2C9 P11712 3/20 0.98
CYP2D6 P10635 2/20 0.87

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
Aplaviroc SCHEMBL15531476 1.00 CCR5 (1.00) CCR5CXCR4CYP2C9CYP2D6
Aplaviroc SCHEMBL5345222 1.00 CCR5 (1.00) CCR5CXCR4CYP2C9CYP2D6
Aplaviroc SCHEMBL4577096 1.00 CCR5 (1.00) CCR5CXCR4CYP2C9CYP2D6
Aplaviroc SCHEMBL6190417 0.99 CCR5 (1.00) CCR5CXCR4CYP2C9CYP2D6
Aplaviroc SCHEMBL5578746 0.99 CCR5 (1.00) CCR5CXCR4CYP2C9CYP2D6
Hydrochloric Acid SCHEMBL6186236 0.99 CCR5 (1.00) CCR5CXCR4CYP2C9CYP2D6
Aplaviroc SCHEMBL5578741 0.99 CCR5 (1.00) CCR5CXCR4CYP2C9CYP2D6
Aplaviroc SCHEMBL6186135 0.99 CCR5 (1.00) CCR5CXCR4CYP2C9CYP2D6
Aplaviroc SCHEMBL4821965 0.99 CCR5 (1.00) CCR5CXCR4CYP2C9CYP2D6
Aplaviroc SCHEMBL5346716 0.99 CCR5 (1.00) CCR5CXCR4CYP2C9CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329809-A1 NEW LEUKOCYTE INFILTRATE MARKERS FOR ROSACEA AND USES THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-11-06 US claimed
EP-2771484-A1 NEW LEUKOCYTE INFILTRATE MARKERS FOR ROSACEA AND USES THEREOF Galderma Research & Development (FR) 2014-09-03 EP claimed
WO-2013060865-A1 NEW LEUKOCYTE INFILTRATE MARKERS FOR ROSACEA AND USES THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-05-02 WO claimed
US-20250090637-A1 METHODS OF INHIBITING CEREBRAL INFLAMMATION UNIVERSITÉ DE GENÈVE (CH) 2025-03-20 US disclosed
EP-4264280-A1 METHODS OF ASSIGNING A COVID PATHOLOGICAL TYPE AND COMPOSITIONS FOR PRACTICING THE SAME, AND METHODS OF TREATING A SUBJECT FOR CHRONIC COVID-19 IncellDx, Inc. (US) 2023-10-25 EP disclosed
EP-3813869-B1 CCR5 INHIBITOR FOR USE IN TREATING A NEUROINFLAMMATORY DISORDER THAT INVOLVES CEREBRAL INFLAMMATION UNIV GENEVE (CH) 2023-10-18 EP disclosed
US-20230172912-A1 COMPOUNDS FOR TREATING PNEUMONIA, SEPSIS, AND CORONAVIRUS INFECTION HEIDELBERG IMMUNOTHERAPEUTICS GMBH (DE) 2023-06-08 US disclosed
WO-2022140299-A1 METHODS OF ASSIGNING A COVID PATHOLOGICAL TYPE AND COMPOSITIONS FOR PRACTICING THE SAME, AND METHODS OF TREATING A SUBJECT FOR CHRONIC COVID-19 INCELLDX, INC. (US) 2022-06-30 WO disclosed
US-20210379044-A1 NON PEPTIDIC HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2021-12-09 US disclosed
US-20210205412-A1 METHODS OF INHIBITING CEREBRAL INFLAMMATION UNIVERSITÉ DE GENÈVE (CH) 2021-07-08 US disclosed
EP-3818171-A1 METHODS FOR DETECTING CANCER-RELATED CELL POPULATIONS, SCREENING FOR METASTATIC CANCER AND TREATMENTS THEREOF IncellDx, Inc. (US) 2021-05-12 EP disclosed
US-20190336489-A1 NON PEPTIDE HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES GLAXOSMITHKLINE IP DEV LTD (GB) 2019-11-07 US disclosed
US-20080039428-A1 Antiretroviral combination therapy PANACOS PHARMACEUTICALS, INC. (US) 2008-02-14 US 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 (3 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-20210379044-A1 NON PEPTIDIC HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES ACKR3, CXCR3, CCL2 CCR5 7/4885CXCR4 24/4885CYP2C9 4784/4885
US-20230172912-A1 COMPOUNDS FOR TREATING PNEUMONIA, SEPSIS, AND CORONAVIRUS INFECTION CCR5, CXCR3, CCL5 CCR5 1/4885CXCR4 19/4885CYP2C9 859/4885
US-20190336489-A1 NON PEPTIDE HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES ACKR3, CXCR3, CCL2 CCR5 8/4885CXCR4 26/4885CYP2C9 4748/4885

“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.