Maraviroc

Maraviroc

SCHEMBL1053748

Cc1nnc(C(C)C)n1C1CC2CC[C@@H](C1)N2CCC(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 SCHEMBL4576508 1.00 CCR5 (1.00) CCR5KCNH2CYP3A4ADRA2ACYP2C9
Maraviroc SCHEMBL334506 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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937639-B1 PYRIDINAMINOSULFONYL SUBSTITUTED BENZAMIDES AS INHIBITORS OF CYTOCHROME P450 3A4 (CYP3A4) PFIZER PROD INC (US) 2010-03-03 EP claimed
EP-1937639-A2 PYRIDINAMINOSULFONYL SUBSTITUTED BENZAMIDES AS INHIBITORS OF CYTOCHROME P450 3A4 (CYP3A4) Pfizer Products Incorporated (US) 2008-07-02 EP claimed
WO-2007034312-A2 PYRIDINAMINOSULFONYL SUBSTITUTED BENZAMIDES AS INHIBITORS OF CYTOCHROME P450 3A4 (CYP3A4) PFIZER PRODUCTS INC. (US) 2007-03-29 WO claimed
EP-2640729-B1 INHIBITORS OF HIV REPLICATION VIIV HEALTHCARE UK LTD (GB) 2016-12-21 EP disclosed
US-20160355528-A1 INHIBITORS OF HIV REPLICATION VIIV HEALTHCARE UK LIMITED (GB) 2016-12-08 US disclosed
US-9447116-B2 Inhibitors of HIV replication VIIV HEALTHCARE UK LIMITED (GB) 2016-09-20 US disclosed
US-20150336965-A1 NOVEL ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2015-11-26 US disclosed
US-9132129-B2 Antiviral compounds KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2015-09-15 US disclosed
US-20140315927-A1 Inhibitors of HIV Replication VIIV HEALTHCARE UK LIMITED (GB) 2014-10-23 US disclosed
US-8809363-B2 Inhibitors of HIV replication VIIV HEALTHCARE UK LIMITED (GB) 2014-08-19 US disclosed
US-8779143-B2 Crystalline forms of maraviroc phosphate and process for maraviroc amorphous form HETERO RESEARCH FOUNDATION (IN) 2014-07-15 US disclosed
WO-2008099278-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR CCR5 ANTAGONISTS PFIZER LIMITED (GN) 2008-08-21 WO disclosed
EP-1937639-A2 PYRIDINAMINOSULFONYL SUBSTITUTED BENZAMIDES AS INHIBITORS OF CYTOCHROME P450 3A4 (CYP3A4) Pfizer Products Incorporated (US) 2008-07-02 EP disclosed
US-20080021011-A1 THERAPEUTIC COMPOUNDS PFIZER INC 2008-01-24 US disclosed
WO-2008004096-A1 PYRAZOLE DERIVATIVES AS CYTOCHROME P450 INHIBITORS PFIZER PRODUCTS INC. (US) 2008-01-10 WO disclosed
WO-2008004100-A2 THERAPEUTIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-01-10 WO disclosed
WO-2007144720-A2 CCR5 ANTAGONIST FOR ENHANCING IMMUNE RECONSTITUTION AND TREATING OPPORTUNISTIC INFECTION IN HIV PATIENTS PFIZER PRODUCTS INC. (US) 2007-12-21 WO disclosed
US-20070167497-A1 Therapeutic Compounds PFIZER INC 2007-07-19 US disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 US disclosed
WO-2007034312-A2 PYRIDINAMINOSULFONYL SUBSTITUTED BENZAMIDES AS INHIBITORS OF CYTOCHROME P450 3A4 (CYP3A4) PFIZER PRODUCTS INC. (US) 2007-03-29 WO 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 (6 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-20160355528-A1 INHIBITORS OF HIV REPLICATION RTF2, POLRMT, MAVS CCR5 139/4885KCNH2 4630/4885CYP3A4 1489/4885
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP CCR5 267/4885KCNH2 4108/4885CYP3A4 28/4885
US-20080021011-A1 THERAPEUTIC COMPOUNDS SLC10A1, PCSK9, CFTR CCR5 776/4885KCNH2 1716/4885CYP3A4 152/4885
US-20150336965-A1 NOVEL ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CCR5 25/4885KCNH2 4125/4885CYP3A4 742/4885
US-20140315927-A1 Inhibitors of HIV Replication RTF2, POLRMT, MAVS CCR5 139/4885KCNH2 4630/4885CYP3A4 1489/4885
US-20070167497-A1 Therapeutic Compounds SLC10A1, PCSK9, CFTR CCR5 776/4885KCNH2 1716/4885CYP3A4 152/4885

“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.