SCHEMBL3873705

SCHEMBL3873705

Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](N)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.60
KCNH2 Q12809 2/20 0.60
CYP3A4 P08684 1/20 0.60
ADRA2A P08913 1/20 0.60
CYP2C9 P11712 1/20 0.60
KCNE1 P15382 1/20 0.60
OPRM1 P35372 1/20 0.60
KCNQ1 P51787 1/20 0.60
SLC47A1 Q96FL8 1/20 0.60

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
SCHEMBL4939107 1.00 CCR5 (0.60) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL13915693 1.00 CCR5 (0.60) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL14168708 0.93 CCR5 (0.53) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL16276177 0.91 CCR5 (0.54) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL16276172 0.90 CCR5 (0.62) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL15112285 0.90 CCR5 (0.62) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL12611791 0.89 CCR5 (0.51) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL4581898 0.88 CCR5 (0.56) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL15246945 0.86 CCR5 (0.67) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL14168630 0.83 CCR5 (0.46) 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-20250026848-A1 IDENTIFICATION OF PATHOGENIC IMMUNE CELL SUBSETS IN CHECKPOINT INHIBITOR-INDUCED MYOCARDITIS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2025-01-23 US claimed
WO-2023023269-A1 IDENTIFICATION OF PATHOGENIC IMMUNE CELL SUBSETS IN CHECKPOINT INHIBITOR-INDUCED MYOCARDITIS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-02-23 WO claimed
US-20250026848-A1 IDENTIFICATION OF PATHOGENIC IMMUNE CELL SUBSETS IN CHECKPOINT INHIBITOR-INDUCED MYOCARDITIS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2025-01-23 US disclosed
WO-2023023269-A1 IDENTIFICATION OF PATHOGENIC IMMUNE CELL SUBSETS IN CHECKPOINT INHIBITOR-INDUCED MYOCARDITIS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-02-23 WO disclosed
US-10875883-B2 Method for synthesizing novel chiral ligand, metal chelate, a variety of non-natural amino acids, maraviroc and key intermediate thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-12-29 US disclosed
EP-3521274-A1 METHOD FOR SYNTHESIZING NOVEL CHIRAL LIGAND, METAL CHELATE, A VARIETY OF NON-NATURAL AMINO ACIDS, MARAVIROC AND KEY INTERMEDIATE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2019-08-07 EP disclosed
US-20190233456-A1 METHOD FOR SYNTHESIZING NOVEL CHIRAL LIGAND, METAL CHELATE, A VARIETY OF NON-NATURAL AMINO ACIDS, MARAVIROC AND KEY INTERMEDIATE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-08-01 US disclosed
WO-2018059279-A1 METHOD FOR SYNTHESIZING NOVEL CHIRAL LIGAND, METAL CHELATE, A VARIETY OF NON-NATURAL AMINO ACIDS, MARAVIROC AND KEY INTERMEDIATE THEREOF 中国科学院上海药物研究所 2018-04-05 WO disclosed
US-9132188-B2 Chemically Programmed Vaccination THE SCRIPPS RESEARCH INSTITUTE (US) 2015-09-15 US disclosed
US-9132188-B2 Chemically Programmed Vaccination THE SCRIPPS RESEARCH INSTITUTE (US) 2015-09-15 US disclosed
US-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions SCRIPPS RESEARCH INST (US) 2014-12-25 US disclosed
US-20080132537-A1 TROPANE DERIVATIVES USEFUL IN THERAPY PFIZER INC 2008-06-05 US disclosed
US-20080132537-A1 TROPANE DERIVATIVES USEFUL IN THERAPY PFIZER INC 2008-06-05 US disclosed
US-7368460-B2 Tropane derivatives useful in therapy PFIZER, INC. (US) 2008-05-06 US disclosed
US-7368460-B2 Tropane derivatives useful in therapy PFIZER, INC. (US) 2008-05-06 US disclosed
US-7368460-B2 Tropane derivatives useful in therapy PFIZER, INC. (US) 2008-05-06 US disclosed
US-20040067977-A1 Tropane derivatives useful in therapy PFIZER, INC. 2004-04-08 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-10875883-B2 Method for synthesizing novel chiral ligand, metal chelate, a variety of non-natural amino acids, maraviroc and key intermediate thereof PRMT3, GRIN3A, RAMP3 CCR5 14/4885KCNH2 2108/4885CYP3A4 255/4885
US-20190233456-A1 METHOD FOR SYNTHESIZING NOVEL CHIRAL LIGAND, METAL CHELATE, A VARIETY OF NON-NATURAL AMINO ACIDS, MARAVIROC AND KEY INTERMEDIATE THEREOF PRMT3, GRIN3A, RAMP3 CCR5 14/4885KCNH2 2108/4885CYP3A4 255/4885
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-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions TYR, DNPEP, TH CCR5 3528/4885KCNH2 3284/4885CYP3A4 1492/4885
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.