SCHEMBL30529985

SCHEMBL30529985

Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccc(F)c1

nearest known ligand 0.90

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.90
KCNH2 Q12809 6/20 0.84
CYP3A4 P08684 2/20 0.84
ADRA2A P08913 1/20 0.84
CYP2C9 P11712 1/20 0.84
KCNE1 P15382 1/20 0.84
OPRM1 P35372 1/20 0.84
KCNQ1 P51787 1/20 0.84
SLC47A1 Q96FL8 1/20 0.84

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
SCHEMBL3874247 1.00 CCR5 (0.90) CCR5KCNH2CYP3A4ADRA2ACYP2C9
Maraviroc SCHEMBL2177194 0.91 CCR5 (1.00) CCR5KCNH2CYP3A4ADRA2ACYP2C9
Maraviroc SCHEMBL4576508 0.91 CCR5 (1.00) CCR5KCNH2CYP3A4ADRA2ACYP2C9
Maraviroc SCHEMBL1053748 0.91 CCR5 (1.00) CCR5KCNH2CYP3A4ADRA2ACYP2C9
Maraviroc SCHEMBL12611449 0.91 CCR5 (1.00) CCR5KCNH2CYP3A4ADRA2ACYP2C9
Maraviroc SCHEMBL51991 0.91 CCR5 (1.00) CCR5KCNH2CYP3A4ADRA2ACYP2C9
Maraviroc SCHEMBL20451355 0.91 CCR5 (1.00) CCR5KCNH2CYP3A4ADRA2ACYP2C9
Maraviroc SCHEMBL334506 0.91 CCR5 (1.00) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL3874242 0.89 CCR5 (0.71) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL16276174 0.88 CCR5 (0.88) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4499098-A1 METHODS OF TREATING A SUBJECT FOR MYALGIC ENCEPHALOMYELITIS/CHRONIC FATIGUE SYNDROME (ME/CFS) AND COMPOSITIONS FOR USE IN THE SAME IncellDx, Inc. (US) 2025-02-05 EP claimed
EP-4469160-A1 METHODS OF TREATING A SUBJECT FOR LONG-HAUL COVID-19, AND COMPOSITIONS FOR USE IN THE SAME IncellDx, Inc. (US) 2024-12-04 EP claimed
WO-2023192362-A1 METHODS OF TREATING A SUBJECT FOR MYALGIC ENCEPHALOMYELITIS/CHRONIC FATIGUE SYNDROME (ME/CFS) AND COMPOSITIONS FOR USE IN THE SAME INCELLDX, INC. (US) 2023-10-05 WO claimed
WO-2023192361-A1 METHODS OF TREATING A SUBJECT FOR FIBROMYALGIA AND COMPOSITIONS FOR USE IN THE SAME INCELLDX, INC. (US) 2023-10-05 WO claimed
WO-2023146812-A1 METHODS OF TREATING A SUBJECT FOR LONG-HAUL COVID-19, AND COMPOSITIONS FOR USE IN THE SAME INCELLDX, INC. (US) 2023-08-03 WO claimed
US-20250205220-A1 Methods of Treating a Subject for Post-Treatment Lyme Disease (PTLD) and Compositions for Use in the Same INCELLDX, INC. 2025-06-26 US disclosed
US-20250205209-A1 Methods of Treating a Subject for Myalgic Encephalomyelitis/Chronic Fatigue Syndrome (ME/CFS) and Compositions for Use in The Same INCELLDX, INC. 2025-06-26 US disclosed
EP-4499098-A1 METHODS OF TREATING A SUBJECT FOR MYALGIC ENCEPHALOMYELITIS/CHRONIC FATIGUE SYNDROME (ME/CFS) AND COMPOSITIONS FOR USE IN THE SAME IncellDx, Inc. (US) 2025-02-05 EP disclosed
EP-4469160-A1 METHODS OF TREATING A SUBJECT FOR LONG-HAUL COVID-19, AND COMPOSITIONS FOR USE IN THE SAME IncellDx, Inc. (US) 2024-12-04 EP disclosed
WO-2023192362-A1 METHODS OF TREATING A SUBJECT FOR MYALGIC ENCEPHALOMYELITIS/CHRONIC FATIGUE SYNDROME (ME/CFS) AND COMPOSITIONS FOR USE IN THE SAME INCELLDX, INC. (US) 2023-10-05 WO disclosed
WO-2023192361-A1 METHODS OF TREATING A SUBJECT FOR FIBROMYALGIA AND COMPOSITIONS FOR USE IN THE SAME INCELLDX, INC. (US) 2023-10-05 WO disclosed
WO-2023146812-A1 METHODS OF TREATING A SUBJECT FOR LONG-HAUL COVID-19, AND COMPOSITIONS FOR USE IN THE SAME INCELLDX, INC. (US) 2023-08-03 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 (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-20250205220-A1 Methods of Treating a Subject for Post-Treatment Lyme Disease (PTLD) and Compositions for Use in the Same CCR5, CCL5, CCL11 CCR5 1/4885KCNH2 4880/4885CYP3A4 2753/4885
US-20250205209-A1 Methods of Treating a Subject for Myalgic Encephalomyelitis/Chronic Fatigue Syndrome (ME/CFS) and Compositions for Use in The Same CCR5, CCL5, CCL11 CCR5 1/4885KCNH2 4746/4885CYP3A4 1573/4885

“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.