SCHEMBL3876067

SCHEMBL3876067

Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCC1)c1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.84
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
CYP2D6 P10635 2/20 0.76

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
SCHEMBL15375827 1.00 CCR5 (0.84) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL2545806 0.99 CCR5 (0.83) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL15375694 0.98 CCR5 (0.84) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL3874712 0.98 CCR5 (0.84) CCR5KCNH2CYP3A4ADRA2ACYP2C9
Maraviroc SCHEMBL51991 0.92 CCR5 (1.00) CCR5KCNH2CYP3A4ADRA2ACYP2C9
Maraviroc SCHEMBL1053748 0.92 CCR5 (1.00) CCR5KCNH2CYP3A4ADRA2ACYP2C9
Maraviroc SCHEMBL12611449 0.92 CCR5 (1.00) CCR5KCNH2CYP3A4ADRA2ACYP2C9
Maraviroc SCHEMBL20451355 0.92 CCR5 (1.00) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL16201142 0.92 CCR5 (0.88) CCR5KCNH2CYP3A4ADRA2ACYP2C9
Maraviroc SCHEMBL334506 0.92 CCR5 (1.00) 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
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 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 claimed
US-20250099444-A1 Methods of Treating a Subject for Long-Haul COVID-19, and Compositions for Use in the Same INCELLDX, INC. 2025-03-27 US claimed
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-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-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-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-20080132537-A1 TROPANE DERIVATIVES USEFUL IN THERAPY PFIZER INC 2008-06-05 US claimed
US-7368460-B2 Tropane derivatives useful in therapy PFIZER, INC. (US) 2008-05-06 US claimed
US-20040067977-A1 Tropane derivatives useful in therapy PFIZER, INC. 2004-04-08 US claimed
EP-1284974-B1 TRIAZOLYL TROPANE DERIVATIVES AS CCR5 MODULATORS PFIZER LTD (GB) 2004-03-03 EP claimed
US-6667314-B2 For therapy of respiratory disorder including adult respiratory distress syndrome (ARDS), bronchitis, chronic bronchitis, chronic obstructive pulmonary disease, cystic fibrosis, asthma, emphysema, rhinitis or chronic sinusitis PFIZER, INC. 2003-12-23 US claimed
US-20020013337-A1 Tropane derivatives useful in therapy PHIVCO-1 LLC 2002-01-31 US claimed
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
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-20250099444-A1 Methods of Treating a Subject for Long-Haul COVID-19, and Compositions for Use in the Same INCELLDX, INC. 2025-03-27 US disclosed
EP-1284974-B1 TRIAZOLYL TROPANE DERIVATIVES AS CCR5 MODULATORS PFIZER LTD (GB) 2004-03-03 EP disclosed
US-6667314-B2 For therapy of respiratory disorder including adult respiratory distress syndrome (ARDS), bronchitis, chronic bronchitis, chronic obstructive pulmonary disease, cystic fibrosis, asthma, emphysema, rhinitis or chronic sinusitis PFIZER, INC. 2003-12-23 US disclosed
US-20020013337-A1 Tropane derivatives useful in therapy PHIVCO-1 LLC 2002-01-31 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 (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-20250099444-A1 Methods of Treating a Subject for Long-Haul COVID-19, and Compositions for Use in the Same CCR5, CCL5, CCL11 CCR5 1/4885KCNH2 4849/4885CYP3A4 545/4885
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
US-20020013337-A1 Tropane derivatives useful in therapy ADRB3, ADRA1A, ADRB2 CCR5 385/4885KCNH2 1032/4885CYP3A4 246/4885
US-20040067977-A1 Tropane derivatives useful in therapy ADRB3, ADRA1A, ADRB2 CCR5 385/4885KCNH2 1032/4885CYP3A4 246/4885
US-20080132537-A1 TROPANE DERIVATIVES USEFUL IN THERAPY ADRB3, ADRB2, ADRA2C CCR5 407/4885KCNH2 1335/4885CYP3A4 197/4885

“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.