SCHEMBL174295

SCHEMBL174295

Cc1nnc(C(C)C)n1C1CC2CC[C@@H](C1)N2CCC(NC(=O)O)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.78
KCNH2 Q12809 3/20 0.78
CYP3A4 P08684 1/20 0.78
ADRA2A P08913 1/20 0.78
CYP2C9 P11712 1/20 0.78
KCNE1 P15382 1/20 0.78
OPRM1 P35372 1/20 0.78
KCNQ1 P51787 1/20 0.78
SLC47A1 Q96FL8 1/20 0.78

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
SCHEMBL15169901 1.00 CCR5 (0.78) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL174296 1.00 CCR5 (0.78) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL3876067 0.91 CCR5 (0.84) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL12033051 0.91 CCR5 (0.71) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL3874712 0.91 CCR5 (0.84) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL15375694 0.91 CCR5 (0.84) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL15375827 0.91 CCR5 (0.84) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL2545806 0.90 CCR5 (0.83) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL3874242 0.90 CCR5 (0.71) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL13915694 0.89 CCR5 (0.69) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779143-B2 Crystalline forms of maraviroc phosphate and process for maraviroc amorphous form HETERO RESEARCH FOUNDATION (IN) 2014-07-15 US disclosed
US-20130211091-A1 CRYSTALLINE FORMS OF MARAVIROC PHOSPHATE AND PROCESS FOR MARAVIROC AMORPHOUS FORM HETERO RESEARCH FOUNDATION (IN) 2013-08-15 US disclosed
EP-2611446-A1 CRYSTALLINE FORMS OF MARAVIROC PHOSPHATE AND PROCESS FOR MARAVIROC AMORPHOUS FORM Hetero Research Foundation (IN) 2013-07-10 EP disclosed
WO-2012029067-A1 CRYSTALLINE FORMS OF MARAVIROC PHOSPHATE AND PROCESS FOR MARAVIROC AMORPHOUS FORM HETERO RESEARCH FOUNDATION (IN) 2012-03-08 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 (1 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-20130211091-A1 CRYSTALLINE FORMS OF MARAVIROC PHOSPHATE AND PROCESS FOR MARAVIROC AMORPHOUS FORM PNP, TYMP, SAMHD1 CCR5 63/4885KCNH2 2796/4885CYP3A4 32/4885

“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.