Maraviroc

Maraviroc

SCHEMBL4576508

Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1

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 Maraviroc. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 known ✓ P51681 20/20 1.00
KCNH2 Q12809 6/20 1.00
CYP3A4 P08684 2/20 1.00
ADRA2A P08913 1/20 1.00
CYP2C9 P11712 1/20 1.00
KCNE1 P15382 1/20 1.00
OPRM1 P35372 1/20 1.00
KCNQ1 P51787 1/20 1.00
SLC47A1 Q96FL8 1/20 1.00

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
Maraviroc SCHEMBL20451355 1.00 CCR5 (1.00) CCR5KCNH2CYP3A4ADRA2ACYP2C9
Maraviroc SCHEMBL334506 1.00 CCR5 (1.00) CCR5KCNH2CYP3A4ADRA2ACYP2C9
Maraviroc SCHEMBL1053748 1.00 CCR5 (1.00) CCR5KCNH2CYP3A4ADRA2ACYP2C9
Maraviroc SCHEMBL2177194 1.00 CCR5 (1.00) CCR5KCNH2CYP3A4ADRA2ACYP2C9
Maraviroc SCHEMBL51991 1.00 CCR5 (1.00) CCR5KCNH2CYP3A4ADRA2ACYP2C9
Maraviroc SCHEMBL12611449 1.00 CCR5 (1.00) CCR5KCNH2CYP3A4ADRA2ACYP2C9
Maraviroc SCHEMBL12611504 0.95 CCR5 (0.91) CCR5KCNH2CYP3A4ADRA2ACYP2C9
Maraviroc SCHEMBL30852775 0.95 CCR5 (0.91) CCR5KCNH2CYP3A4ADRA2ACYP2C9
Maraviroc SCHEMBL12611605 0.95 CCR5 (0.91) CCR5KCNH2CYP3A4ADRA2ACYP2C9
Maraviroc SCHEMBL14168620 0.94 CCR5 (0.89) CCR5KCNH2CYP3A4ADRA2ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12564595-B2 Prophylactic and therapeutic pharmaceutical agent for HIV infectious diseases characterized by comprising combination of integrase inhibitor and anti-HIV agent SHIONOGI & CO., LTD. (JP) 2026-03-03 US disclosed
US-20230059640-A1 PROPHYLACTIC AND THERAPEUTIC PHARMACEUTICAL AGENT FOR HIV INFECTIOUS DISEASES CHARACTERIZED BY COMPRISING COMBINATION OF INTEGRASE INHIBITOR AND ANTI-HIV AGENT SHIONOGI & CO., LTD. (JP) 2023-02-23 US disclosed
EP-4066839-A1 PROPHYLACTIC AND THERAPEUTIC PHARMACEUTICAL AGENT FOR HIV INFECTIOUS DISEASES CHARACTERIZED BY COMPRISING COMBINATION OF INTEGRASE INHIBITOR AND ANTI-HIV AGENT Shionogi & Co., Ltd (JP) 2022-10-05 EP disclosed
WO-2021107066-A1 PROPHYLACTIC AND THERAPEUTIC PHARMACEUTICAL AGENT FOR HIV INFECTIOUS DISEASES CHARACTERIZED BY COMPRISING COMBINATION OF INTEGRASE INHIBITOR AND ANTI-HIV AGENT 塩野義製薬株式会社 2021-06-03 WO 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 (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-12564595-B2 Prophylactic and therapeutic pharmaceutical agent for HIV infectious diseases characterized by comprising combination of integrase inhibitor and anti-HIV agent RPL35, RPL7, TYMP CCR5 683/4885KCNH2 1822/4885CYP3A4 309/4885
US-20230059640-A1 PROPHYLACTIC AND THERAPEUTIC PHARMACEUTICAL AGENT FOR HIV INFECTIOUS DISEASES CHARACTERIZED BY COMPRISING COMBINATION OF INTEGRASE INHIBITOR AND ANTI-HIV AGENT NHERF1, INO80C, IMPA1 CCR5 55/4885KCNH2 442/4885CYP3A4 737/4885

“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.