SCHEMBL166707

SCHEMBL166707

CC(C)C(=O)NC1CC2CCC(C1)N2Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.63
MEN1 O00255 4/20 0.63
ALDH1A1 P00352 2/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C19 P33261 1/20 0.63
L3MBTL1 Q9Y468 2/20 0.61
USP2 O75604 1/20 0.60
LMNA P02545 1/20 0.59
OPRK1 P41145 3/20 0.59
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL13915687 1.00 KMT2A (0.63) KMT2AMEN1ALDH1A1CYP2D6CYP2C19
SCHEMBL3595931 0.85 KMT2A (0.78) KMT2AMEN1ALDH1A1CYP2D6CYP2C19
SCHEMBL1886766 0.85 KMT2A (0.78) KMT2AMEN1ALDH1A1CYP2D6CYP2C19
SCHEMBL15249477 0.85 KMT2A (0.78) KMT2AMEN1ALDH1A1CYP2D6CYP2C19
SCHEMBL16250460 0.85 KMT2A (0.78) KMT2AMEN1ALDH1A1CYP2D6CYP2C19
SCHEMBL3595934 0.85 KMT2A (0.78) KMT2AMEN1ALDH1A1CYP2D6CYP2C19
SCHEMBL4274767 0.85 L3MBTL1 (0.68) KMT2AMEN1ALDH1A1CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL10854308 0.84 KMT2A (0.76) KMT2AMEN1ALDH1A1CYP2D6CYP2C19
SCHEMBL3590498 0.83 USP2 (0.65) KMT2AMEN1ALDH1A1CYP2D6CYP2C19
SCHEMBL7545873 0.82 L3MBTL1 (0.65) KMT2AMEN1ALDH1A1CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208984-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS VIRGINIA COMMONWEALTH UNIVERSITY 2024-06-27 US disclosed
US-20240208984-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS VIRGINIA COMMONWEALTH UNIVERSITY 2024-06-27 US disclosed
US-20240208984-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS VIRGINIA COMMONWEALTH UNIVERSITY 2024-06-27 US disclosed
EP-4313051-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS Virginia Commonwealth University (US) 2024-02-07 EP disclosed
WO-2022212471-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2022-10-06 WO disclosed
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
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-1742934-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2007-01-17 EP disclosed
WO-2005101989-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2005-11-03 WO disclosed
EP-1526134-A2 TRIAZOLYL TROPANE DERIVATIVES AS CCR5 MODULATORS Pfizer Limited (GB) 2005-04-27 EP 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-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 KMT2A 4078/4885MEN1 4834/4885ALDH1A1 531/4885
US-20020013337-A1 Tropane derivatives useful in therapy ADRB3, ADRA1A, ADRB2 KMT2A 4068/4885MEN1 2363/4885ALDH1A1 454/4885
US-20040067977-A1 Tropane derivatives useful in therapy ADRB3, ADRA1A, ADRB2 KMT2A 4068/4885MEN1 2363/4885ALDH1A1 454/4885
US-10556899-B2 Method for preparing Maraviroc CYP3A43, NAT10, CYP3A5 KMT2A 1506/4885MEN1 4007/4885ALDH1A1 663/4885
US-20240208984-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS OPRM1, OPRK1, CCR5 KMT2A 3025/4885MEN1 4850/4885ALDH1A1 3596/4885
US-20190248782-A1 METHOD FOR PREPARING MARAVIROC CYP3A43, NAT10, CYP3A5 KMT2A 1506/4885MEN1 4007/4885ALDH1A1 663/4885

“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.