SCHEMBL175093

SCHEMBL175093

Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.56
CYP3A4 P08684 1/20 0.51
ADRA2A P08913 1/20 0.51
CYP2C9 P11712 1/20 0.51
KCNE1 P15382 1/20 0.51
OPRM1 P35372 1/20 0.51
KCNQ1 P51787 1/20 0.51
KCNH2 Q12809 1/20 0.51
SLC47A1 Q96FL8 1/20 0.51

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
SCHEMBL13915685 1.00 CCR5 (0.56) CCR5CYP3A4ADRA2ACYP2C9KCNE1
SCHEMBL14168719 0.92 CCR5 (0.49) CCR5CYP3A4ADRA2ACYP2C9KCNE1
SCHEMBL14155704 0.86 CCR5 (0.62) CCR5
SCHEMBL12530439 0.84 ALDH1A1 (0.44) CCR5OPRM1KCNH2
SCHEMBL4131541 0.81 CCR5 (0.52) CCR5KCNH2
SCHEMBL12946593 0.80 CCR5 (0.48) CCR5KCNH2
SCHEMBL4939107 0.79 CCR5 (0.60) CCR5CYP3A4ADRA2ACYP2C9KCNE1
SCHEMBL3873705 0.79 CCR5 (0.60) CCR5CYP3A4ADRA2ACYP2C9KCNE1
SCHEMBL13915693 0.79 CCR5 (0.60) CCR5CYP3A4ADRA2ACYP2C9KCNE1
SCHEMBL29904327 0.78 CCR5 (0.49) CCR5

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10556899-B2 Method for preparing Maraviroc SCI PHARMTECH, INC. (TW) 2020-02-11 US disclosed
US-20190248782-A1 METHOD FOR PREPARING MARAVIROC SCI PHARMTECH, INC. (TW) 2019-08-15 US disclosed
WO-2014173375-A1 A PROCESS FOR THE SYNTHESIS OF MARAVIROC ZENTIVA, K.S. (CZ) 2014-10-30 WO disclosed
CN-102766141-B Preparation method of 8-benzyl-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo (3.2.1)octane WENZHOU MEDICAL COLLEGE 2014-09-03 CN disclosed
US-8779143-B2 Crystalline forms of maraviroc phosphate and process for maraviroc amorphous form HETERO RESEARCH FOUNDATION (IN) 2014-07-15 US disclosed
EP-1910573-B1 METHODS FOR REDUCING VIRAL LOAD IN HIV-1-INFECTED PATIENTS CYTODYN INC (US) 2013-09-04 EP 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
EP-1990341-B1 Triazolyl tropane derivatives as CCR5 modulators PFIZER (US) 2013-01-23 EP disclosed
CN-102766141-A Preparation method of 8-benzyl-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo (3.2.1)octane WENZHOU MEDICAL COLLEGE 2012-11-07 CN disclosed
US-20070167442-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-19 US disclosed
US-20070015788-A1 N-(3-Aryl-3-substitutedphenylpropyl) piperidines or 8-azabicyclo[3.2.1]octanes that are additionally substituted with an optionally fused 5-member N-heterocycle; the compounds are modulators of CCR5 receptor activity and are used in treating diseases such as rheumatoid arthritis ASTRAZENECA AB (SE) 2007-01-18 US disclosed
US-20070015788-A1 N-(3-Aryl-3-substitutedphenylpropyl) piperidines or 8-azabicyclo[3.2.1]octanes that are additionally substituted with an optionally fused 5-member N-heterocycle; the compounds are modulators of CCR5 receptor activity and are used in treating diseases such as rheumatoid arthritis ASTRAZENECA AB (SE) 2007-01-18 US disclosed
US-20070015788-A1 N-(3-Aryl-3-substitutedphenylpropyl) piperidines or 8-azabicyclo[3.2.1]octanes that are additionally substituted with an optionally fused 5-member N-heterocycle; the compounds are modulators of CCR5 receptor activity and are used in treating diseases such as rheumatoid arthritis ASTRAZENECA AB (SE) 2007-01-18 US disclosed
EP-1625120-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2006-02-15 EP disclosed
WO-2004099178-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-18 WO 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 (7 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-20070015788-A1 N-(3-Aryl-3-substitutedphenylpropyl) piperidines or 8-azabicyclo[3.2.1]octanes that are additionally substituted with an optionally fused 5-member N-heterocycle; the compounds are modulators of CCR5 receptor activity and are used in treating diseases such as rheumatoid arthritis CCR5, CCR2, CX3CR1 CCR5 1/4885CYP3A4 664/4885ADRA2A 82/4885
US-20020013337-A1 Tropane derivatives useful in therapy ADRB3, ADRA1A, ADRB2 CCR5 385/4885CYP3A4 246/4885ADRA2A 9/4885
US-20040067977-A1 Tropane derivatives useful in therapy ADRB3, ADRA1A, ADRB2 CCR5 385/4885CYP3A4 246/4885ADRA2A 9/4885
US-20070167442-A1 Chemical compounds CCR5, CXCR3, CX3CR1 CCR5 1/4885CYP3A4 294/4885ADRA2A 106/4885
US-10556899-B2 Method for preparing Maraviroc CYP3A43, NAT10, CYP3A5 CCR5 387/4885CYP3A4 5/4885ADRA2A 738/4885
US-20190248782-A1 METHOD FOR PREPARING MARAVIROC CYP3A43, NAT10, CYP3A5 CCR5 387/4885CYP3A4 5/4885ADRA2A 738/4885
US-20130211091-A1 CRYSTALLINE FORMS OF MARAVIROC PHOSPHATE AND PROCESS FOR MARAVIROC AMORPHOUS FORM PNP, TYMP, SAMHD1 CCR5 63/4885CYP3A4 32/4885ADRA2A 3569/4885

“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.